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

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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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-]

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-]

InChI

InChI=1S/C22H18N4O4S/c27-20(17-12-7-13-18(14-17)26(29)30)23-22(31)25-24-21(28)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,24,28)(H2,23,25,27,31)