methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(methylthio)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H18N2O2S3/c1-24-19(23)14-12-17(13-8-4-3-5-9-13)27-18(14)22-20(25)21-15-10-6-7-11-16(15)26-2/h3-12H,1-2H3,(H2,21,22,25)