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

Systemtic Name: 3,5-dinitro-N-[(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-(benzylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-(benzylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(benzylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O5S/c20-14(17-15(25)16-9-10-4-2-1-3-5-10)11-6-12(18(21)22)8-13(7-11)19(23)24/h1-8H,9H2,(H2,16,17,20,25)