N-(3-acetamidophenyl)-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-(3-acetamidophenyl)-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-(3-acetamidophenyl)-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-(3-acetamidophenyl)-2-[(4-chlorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-(3-acetamidophenyl)-2-(4-chlorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-(3-acetamidophenyl)-2-[(4-chlorophenyl)thio]-5-nitro-benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-13(26)23-15-3-2-4-16(11-15)24-21(27)19-12-17(25(28)29)7-10-20(19)30-18-8-5-14(22)6-9-18/h2-12H,1H3,(H,23,26)(H,24,27)