benthiavalicarb-isopropyl

CHEBI:81732 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:140325
Label unavailable CHEBI:23003
Label unavailable CHEBI:27267
Label unavailable CHEBI:37143
Label unavailable CHEBI:37947
valinamide fungicide CHEBI:87029
benzothiazole fungicide CHEBI:87038
carbamate fungicide CHEBI:87061

Chemical structure

Computed structure properties
Molecular formula	C18H24FN3O3S
Charge	0
Average mass	381.473 Da
Monoisotopic mass	381.15224 Da
Source	ChEBI
InChIKey	USRKFGIXLGKMKU-ABAIWWIYSA-N

SMILES

CC(C)OC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C

InChI

InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1

Also called

isopropyl [(2S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (EXACT_SYNONYM)— chebi
1-methylethyl ((1S)-1-((((1R)-1-(6-fluoro-2-benzothiazolyl)ethyl)amino)carbonyl)-2-methylpropyl)carbamate (EXACT_SYNONYM)— chebi
benthiavalicarb isopropyl (EXACT_SYNONYM)— chebi
isopropyl ((S)-1-{((1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl)carbamoyl}-2-methylpropyl)carbamate (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

fungicide CHEBI:24127
antifungal agent CHEBI:35718
antifungal agrochemical CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:81732`	benthiavalicarb-isopropyl	`antibioticmech:chebi-584ac382bd`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

Explore across X-Mech: MediaIngredientMech (benthiavalicarb-isopropyl) · CultureMech · NaturalProductMech · PathwayMech · TraitMech