N-[(4-fluorophenyl)methyl]-2-(2-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(2-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(2-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[2-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-[[2-(methylthio)phenyl]thio]cinchoninamide Formula: C24H19FN2OS2 MolecularWeight: 434.548863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H19FN2OS2/c1-29-21-8-4-5-9-22(21)30-23-14-19(18-6-2-3-7-20(18)27-23)24(28)26-15-16-10-12-17(25)13-11-16/h2-14H,15H2,1H3,(H,26,28)