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

Systemtic Name: methyl 5-methyl-2-[(4-methylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(p-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(p-tolylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S2/c1-13-9-11-16(12-10-13)22-21(26)23-19-18(20(24)25-3)17(14(2)27-19)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,22,23,26)