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

Systemtic Name: 4-chloranyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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

InChI

InChI=1S/C22H17ClN4O4S/c23-17-12-11-16(13-18(17)27(30)31)20(28)24-22(32)26-25-21(29)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,25,29)(H2,24,26,28,32)