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

Systemtic Name: 4-chloranyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN4O4S/c1-27(23(33)26-21(29)16-11-12-18(24)20(13-16)28(31)32)19-10-6-5-9-17(19)22(30)25-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,30)(H,26,29,33)