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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c14-12(18)9-5-7-16(8-6-9)13(21)15-10-1-3-11(4-2-10)17(19)20/h1-4,9H,5-8H2,(H2,14,18)(H,15,21)