AntibioticMech

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

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:140325 CHEBI:140325
• CHEBI:23003 CHEBI:23003
• CHEBI:27267 CHEBI:27267
• CHEBI:37143 CHEBI:37143
• CHEBI:37947 CHEBI:37947
• CHEBI:87029 CHEBI:87029
• CHEBI:87038 CHEBI:87038
• CHEBI:87061 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

Equivalent identifiers for this same structure in other resources.

• cas:177406-68-7
• kegg.compound:C18415
• ppdb:2172
• reaxys:11343403

Activity roles

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

• CHEBI:24127 CHEBI:24127
• CHEBI:35718 CHEBI:35718
• CHEBI:86328 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

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.