N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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