methyl 4-cyano-5-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(3,4-dichlorobenzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(3,4-dichlorobenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,4-dichlorobenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H11Cl2N3O3S2 MolecularWeight: 428.31284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C16H11Cl2N3O3S2/c1-7-9(6-19)14(26-12(7)15(23)24-2)21-16(25)20-13(22)8-3-4-10(17)11(18)5-8/h3-5H,1-2H3,(H2,20,21,22,25)