dimethyl 5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H24N4O7S MolecularWeight: 500.52426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H24N4O7S/c1-33-21(29)15-10-16(22(30)34-2)12-17(11-15)24-23(35)25-20(28)14-6-7-18(19(13-14)27(31)32)26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,24,25,28,35)