N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c22-15(10-9-12-5-2-1-3-6-12)18-17(26)20-19-16(23)13-7-4-8-14(11-13)21(24)25/h1-8,11H,9-10H2,(H,19,23)(H2,18,20,22,26)