methyl 5-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(methylthio)phenyl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S3 MolecularWeight: 428.5907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S3/c1-13-17(14-9-5-4-6-10-14)18(20(24)25-2)19(28-13)23-21(26)22-15-11-7-8-12-16(15)27-3/h4-12H,1-3H3,(H2,22,23,26)