N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(2-methylsulfanylethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(2-methylsulfanylethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(2-methylsulfanylethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[2-(methylthio)ethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[2-(methylthio)ethyl]-2-phenyl-cinchoninamide Formula: C29H27FN2OS MolecularWeight: 470.600883

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CSCCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C29H27FN2OS/c1-34-17-16-24-26(29(33)32-27(20-14-15-20)21-10-7-11-22(30)18-21)23-12-5-6-13-25(23)31-28(24)19-8-3-2-4-9-19/h2-13,18,20,27H,14-17H2,1H3,(H,32,33)