1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-[(4-nitroanilino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(4-nitrophenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-[(4-nitrophenyl)thiocarbamoyl]nipecotamide Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H16N4O3S/c14-12(18)9-2-1-7-16(8-9)13(21)15-10-3-5-11(6-4-10)17(19)20/h3-6,9H,1-2,7-8H2,(H2,14,18)(H,15,21)