pyributicarb

CHEBI:81736 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A monothiocarbamic ester that is carbamic acid in which the oxygen of the oxo group is replaced by sulfur, the hydrogens attached to the nitrogen are replaced by methyl and 6-methoxypyridin-2-yl groups, and the hydrogen of the hydroxy group is replaced by a p-tert-butylphenyl group. It has fungicidal and herbicidal activity and is used in paddy rice and turf production. — 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:26421
Label unavailable CHEBI:35618
Label unavailable CHEBI:38128

Chemical structure

Computed structure properties
Molecular formula	C18H22N2O2S
Charge	0
Average mass	330.453 Da
Monoisotopic mass	330.1402 Da
Source	ChEBI
InChIKey	VTRWMTJQBQJKQH-UHFFFAOYSA-N

SMILES

COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1

InChI

InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3

Also called

O-(3-tert-butylphenyl) (6-methoxypyridin-2-yl)methylcarbamothioate (EXACT_SYNONYM)— chebi
O-3-tert-butylphenyl 6-methoxy-2-pyridyl(methyl)thiocarbamate (EXACT_SYNONYM)— chebi
O-[3-(1,1-dimethylethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioate (EXACT_SYNONYM)— chebi
TSH-888 (EXACT_SYNONYM)— chebi
pyributicarbe (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.

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:81736`	pyributicarb	`antibioticmech:chebi-18b9e86494`	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).

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