2-(4-fluorophenyl)sulfanyl-N-[2-[methyl-(phenylmethyl)amino]ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[2-[methyl-(phenylmethyl)amino]ethyl]quinoline-4-carboxamide Openeye Name: N-[2-[benzyl(methyl)amino]ethyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[2-[methyl-(phenylmethyl)amino]ethyl]-4-quinolinecarboxamide IUPAC Name: N-[2-[benzyl(methyl)amino]ethyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-[benzyl(methyl)amino]ethyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C26H24FN3OS MolecularWeight: 445.551663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3OS/c1-30(18-19-7-3-2-4-8-19)16-15-28-26(31)23-17-25(29-24-10-6-5-9-22(23)24)32-21-13-11-20(27)12-14-21/h2-14,17H,15-16,18H2,1H3,(H,28,31)