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

Systemtic Name: ethyl 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4S2/c1-3-33-24(30)22-21(18-7-5-4-6-8-18)17(2)35-23(22)26-25(34)28-15-13-27(14-16-28)19-9-11-20(12-10-19)29(31)32/h4-12H,3,13-16H2,1-2H3,(H,26,34)