diethyl 3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H28N4O7S2 MolecularWeight: 548.63172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O7S2/c1-4-34-22(30)18-14(3)19(23(31)35-5-2)37-21(18)26-24(36)25-20(29)15-9-10-16(17(13-15)28(32)33)27-11-7-6-8-12-27/h9-10,13H,4-8,11-12H2,1-3H3,(H2,25,26,29,36)