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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-[(2,4-difluorophenyl)thio]-N-[(4-ethylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-[(2,4-difluorophenyl)thio]-N-(4-ethylbenzyl)cinchoninamide Formula: C25H20F2N2OS MolecularWeight: 434.500906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C25H20F2N2OS/c1-2-16-7-9-17(10-8-16)15-28-25(30)20-14-24(29-22-6-4-3-5-19(20)22)31-23-12-11-18(26)13-21(23)27/h3-14H,2,15H2,1H3,(H,28,30)