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.

CHEBI:26421 CHEBI:26421
CHEBI:35618 CHEBI:35618
CHEBI:38128 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

Equivalent identifiers for this same structure in other resources.

cas:88678-67-5
kegg.compound:C18422
pesticides:pyributicarb
reaxys:11343509

Activity roles

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

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: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.