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

Systemtic Name: 4-chloranyl-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3-nitro-benzamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O4S/c1-26(22(32)25-20(28)14-11-12-17(23)19(13-14)27(30)31)18-10-6-5-9-16(18)21(29)24-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,29)(H,25,28,32)