N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]hexanamide

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]hexanamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide Traditional Name: N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]hexanamide Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-2-3-4-8-12(19)15-14(23)17-16-13(20)10-6-5-7-11(9-10)18(21)22/h5-7,9H,2-4,8H2,1H3,(H,16,20)(H2,15,17,19,23)