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

Systemtic Name: methyl 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H24N4O4S2 MolecularWeight: 496.60176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4S2/c1-16-20(17-6-4-3-5-7-17)21(23(29)32-2)22(34-16)25-24(33)27-14-12-26(13-15-27)18-8-10-19(11-9-18)28(30)31/h3-11H,12-15H2,1-2H3,(H,25,33)