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

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[(4-fluorophenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-(p-phenetylthio)cinchoninamide Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O2S/c1-2-30-19-11-13-20(14-12-19)31-24-15-22(21-5-3-4-6-23(21)28-24)25(29)27-16-17-7-9-18(26)10-8-17/h3-15H,2,16H2,1H3,(H,27,29)