N-[1-(3-fluorophenyl)propyl]-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[1-(3-fluorophenyl)propyl]-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-(3-fluorophenyl)propyl]-3-(methylsulfanylmethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-(3-fluorophenyl)propyl]-3-[(methylthio)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-(3-fluorophenyl)propyl]-3-(methylsulfanylmethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(3-fluorophenyl)propyl]-3-[(methylthio)methyl]-2-phenyl-cinchoninamide Formula: C27H25FN2OS MolecularWeight: 444.563603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)F)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

Isomeric SMILES

CCC(C1=CC(=CC=C1)F)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CSC

InChI

InChI=1S/C27H25FN2OS/c1-3-23(19-12-9-13-20(28)16-19)30-27(31)25-21-14-7-8-15-24(21)29-26(22(25)17-32-2)18-10-5-4-6-11-18/h4-16,23H,3,17H2,1-2H3,(H,30,31)