2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethoxy-2-methyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethoxy-2-methyl-phenyl)-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethoxy-2-methyl-phenyl)-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(4,5-dimethoxy-2-methylphenyl)-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethoxy-2-methylphenyl)-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(4,5-dimethoxy-2-methyl-phenyl)-5-nitro-benzamide Formula: C22H19ClN2O5S MolecularWeight: 458.91466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C22H19ClN2O5S/c1-13-10-19(29-2)20(30-3)12-18(13)24-22(26)17-11-15(25(27)28)6-9-21(17)31-16-7-4-14(23)5-8-16/h4-12H,1-3H3,(H,24,26)