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

Systemtic Name: 3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[4-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(4-piperidinophenyl)thiocarbamoyl]benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c24-18(14-5-4-6-17(13-14)23(25)26)21-19(27)20-15-7-9-16(10-8-15)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H2,20,21,24,27)