N-[(4-acetamidophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-[(2-fluorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-(4-acetamidobenzyl)-2-[(2-fluorophenyl)thio]-5-nitro-benzamide Formula: C22H18FN3O4S MolecularWeight: 439.459423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C22H18FN3O4S/c1-14(27)25-16-8-6-15(7-9-16)13-24-22(28)18-12-17(26(29)30)10-11-20(18)31-21-5-3-2-4-19(21)23/h2-12H,13H2,1H3,(H,24,28)(H,25,27)