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

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H17N5O6S MolecularWeight: 479.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6S/c28-20(16-11-17(26(30)31)13-18(12-16)27(32)33)23-22(34)25-24-21(29)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,24,29)(H2,23,25,28,34)