N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-2-phenyl-acetamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c21-14(9-11-5-2-1-3-6-11)17-16(25)19-18-15(22)12-7-4-8-13(10-12)20(23)24/h1-8,10H,9H2,(H,18,22)(H2,17,19,21,25)