N-[[(4-nitrophenyl)amino]carbamothioyl]hexanamide

Systemtic Name: N-[[(4-nitrophenyl)amino]carbamothioyl]hexanamide Openeye Name: N-[(4-nitroanilino)carbamothioyl]hexanamide CAS Name: N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(4-nitroanilino)carbamothioyl]hexanamide Traditional Name: N-[(4-nitroanilino)thiocarbamoyl]hexanamide Formula: C13H18N4O3S MolecularWeight: 310.37202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3S/c1-2-3-4-5-12(18)14-13(21)16-15-10-6-8-11(9-7-10)17(19)20/h6-9,15H,2-5H2,1H3,(H2,14,16,18,21)