3-nitro-4-piperidin-1-yl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[[4-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-4-piperidino-N-[(4-piperidinophenyl)thiocarbamoyl]benzamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O3S/c30-23(18-7-12-21(22(17-18)29(31)32)28-15-5-2-6-16-28)26-24(33)25-19-8-10-20(11-9-19)27-13-3-1-4-14-27/h7-12,17H,1-6,13-16H2,(H2,25,26,30,33)