4-[2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]amino]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]amino]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[5-chloro-2-(4-fluorophenyl)sulfanyl-anilino]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[5-chloro-2-[(4-fluorophenyl)thio]anilino]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[5-chloro-2-(4-fluorophenyl)sulfanylanilino]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[5-chloro-2-[(4-fluorophenyl)thio]anilino]acetyl]amino]-N-methyl-benzamide Formula: C22H19ClFN3O2S MolecularWeight: 443.921563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19ClFN3O2S/c1-25-22(29)14-2-7-17(8-3-14)27-21(28)13-26-19-12-15(23)4-11-20(19)30-18-9-5-16(24)6-10-18/h2-12,26H,13H2,1H3,(H,25,29)(H,27,28)