ethyl 5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(C(C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(C(C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H31N3O2S2/c1-5-32-26(31)24-23(21-9-7-6-8-10-21)20(4)34-25(24)28-27(33)29-15-16-30(19(3)17-29)22-13-11-18(2)12-14-22/h6-14,19H,5,15-17H2,1-4H3,(H,28,33)