CHEBI:64128 - N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide

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ChEBI Name N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide
ChEBI ID CHEBI:64128
ChEBI ASCII Name N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide
Definition A dicarboximide that consists of semicarbazide in which the formyl hydrogen is substituted by a 3,5-bis(methylthio)1,2-thiazol-4-yl group and one of the hydrogens from the NH2 function is substituted by a 3-chloro-4-fluorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information eMolecules:5823218, ZINC000004389421
Download Molfile XML SDF
Formula C13H12ClFN4O2S3
Net Charge 0
Average Mass 406.90600
Monoisotopic Mass 405.97949
InChI InChI=1S/C13H12ClFN4O2S3/c1-22-11-9(12(23-2)24-19-11)10(20)16-13(21)18-17-6-3-4-8(15)7(14)5-6/h3-5,17H,1-2H3,(H2,16,18,20,21)
InChIKey GZWOYSHDAKTALD-UHFFFAOYSA-N
SMILES CSc1nsc(SC)c1C(=O)NC(=O)NNc1ccc(F)c(Cl)c1
ChEBI Ontology
Outgoing N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide (CHEBI:64128) has functional parent semicarbazide (CHEBI:28306)
N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide (CHEBI:64128) is a 1,2-thiazoles (CHEBI:48902)
N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide (CHEBI:64128) is a dicarboximide (CHEBI:35356)
N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide (CHEBI:64128) is a methyl sulfide (CHEBI:86315)
N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide (CHEBI:64128) is a organochlorine compound (CHEBI:36683)
N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylthio)isothiazole-4-carboxamide (CHEBI:64128) is a organofluorine compound (CHEBI:37143)
IUPAC Name
N-{[2-(3-chloro-4-fluorophenyl)hydrazino]carbonyl}-3,5-bis(methylsulfanyl)isothiazole-4-carboxamide
Synonym Source
3-{[bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonyl}-1-[(3-chloro-4-fluorophenyl)amino]urea ChEBI
Last Modified
06 July 2015