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

Systemtic Name: methyl 2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H24N4O4S2 MolecularWeight: 496.60176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4S2/c1-32-23(29)21-16-20(15-17-5-3-2-4-6-17)34-22(21)25-24(33)27-13-11-26(12-14-27)18-7-9-19(10-8-18)28(30)31/h2-10,16H,11-15H2,1H3,(H,25,33)