3,5-dinitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C16H13N5O6S MolecularWeight: 403.36932

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O6S/c22-14(6-10-4-2-1-3-5-10)18-19-16(28)17-15(23)11-7-12(20(24)25)9-13(8-11)21(26)27/h1-5,7-9H,6H2,(H,18,22)(H2,17,19,23,28)