methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O2S3 MolecularWeight: 463.03576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H19ClN2O2S3/c1-12-13(2)28-19(18(12)20(25)26-3)24-21(27)23-16-6-4-5-7-17(16)29-15-10-8-14(22)9-11-15/h4-11H,1-3H3,(H2,23,24,27)