4-chloranyl-3-nitro-N-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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