2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-phenethyl-quinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-phenethyl-quinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide CAS Name: 2-[(2,4-difluorophenyl)thio]-N-phenethyl-4-quinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)sulfanyl-N-phenethylquinoline-4-carboxamide Traditional Name: 2-[(2,4-difluorophenyl)thio]-N-phenethyl-cinchoninamide Formula: C24H18F2N2OS MolecularWeight: 420.474326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H18F2N2OS/c25-17-10-11-22(20(26)14-17)30-23-15-19(18-8-4-5-9-21(18)28-23)24(29)27-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,27,29)