dimethyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N4O6S2/c1-12-15(18(25)29-2)17(32-16(12)19(26)30-3)21-20(31)23-10-8-22(9-11-23)13-4-6-14(7-5-13)24(27)28/h4-7H,8-11H2,1-3H3,(H,21,31)