thiophanate

CHEBI:82060 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. — 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:23003 CHEBI:23003
CHEBI:51276 CHEBI:51276
CHEBI:87037 CHEBI:87037
CHEBI:87061 CHEBI:87061

Chemical structure

Computed structure properties
Molecular formula	C14H18N4O4S2
Charge	0
Average mass	370.456 Da
Monoisotopic mass	370.07695 Da
Source	ChEBI
InChIKey	YFNCATAIYKQPOO-UHFFFAOYSA-N

SMILES

CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC

InChI

InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)

Also called

diethyl (1,2-phenylenedicarbamothioyl)biscarbamate (EXACT_SYNONYM)— chebi
1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene (EXACT_SYNONYM)— chebi
1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene (EXACT_SYNONYM)— chebi
1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene (EXACT_SYNONYM)— chebi
4,4'-o-Phenylenebis(ethyl 3-thioallophanate) (EXACT_SYNONYM)— chebi
Diethyl 4,4'-o-phenylenebis(3-thioallophanate) (EXACT_SYNONYM)— chebi
Ethyl thiophanate (EXACT_SYNONYM)— chebi
Thiophanat (EXACT_SYNONYM)— chebi
diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate (EXACT_SYNONYM)— chebi
diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate] (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:23564-06-9
kegg.compound:C18918
pesticides:thiophanate
ppdb:2935
reaxys:939969

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:86327 CHEBI:86327

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:82060`	thiophanate	`antibioticmech:chebi-107ce2d44d`	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.