N-(1,3-benzodioxol-5-ylmethyl)-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-difluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[(2,4-difluorophenyl)thio]-N-piperonyl-cinchoninamide Formula: C24H16F2N2O3S MolecularWeight: 450.457246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)SC5=C(C=C(C=C5)F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)SC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C24H16F2N2O3S/c25-15-6-8-22(18(26)10-15)32-23-11-17(16-3-1-2-4-19(16)28-23)24(29)27-12-14-5-7-20-21(9-14)31-13-30-20/h1-11H,12-13H2,(H,27,29)