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

Systemtic Name: N-[[(4-nitrophenyl)amino]carbamothioyl]pentanamide Openeye Name: N-[(4-nitroanilino)carbamothioyl]pentanamide CAS Name: N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4-nitroanilino)carbamothioyl]pentanamide Traditional Name: N-[(4-nitroanilino)thiocarbamoyl]valeramide Formula: C12H16N4O3S MolecularWeight: 296.34544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3S/c1-2-3-4-11(17)13-12(20)15-14-9-5-7-10(8-6-9)16(18)19/h5-8,14H,2-4H2,1H3,(H2,13,15,17,20)