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

Systemtic Name: methyl 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c1-17(30)19-9-11-21(12-10-19)28-13-15-29(16-14-28)26(33)27-24-23(25(31)32-3)22(18(2)34-24)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3,(H,27,33)