3-nitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-nitro-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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