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

Systemtic Name: 2-nitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 2-nitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 2-nitro-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 2-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(10-11-6-2-1-3-7-11)18-19-16(25)17-15(22)12-8-4-5-9-13(12)20(23)24/h1-9H,10H2,(H,18,21)(H2,17,19,22,25)