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

Systemtic Name: diethyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C22H26N4O6S2 MolecularWeight: 506.59504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S2/c1-4-31-20(27)17-14(3)18(21(28)32-5-2)34-19(17)23-22(33)25-12-10-24(11-13-25)15-6-8-16(9-7-15)26(29)30/h6-9H,4-5,10-13H2,1-3H3,(H,23,33)