N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethyl-1-piperidyl)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylpiperidino)propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C26H30FN3OS MolecularWeight: 451.599303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H30FN3OS/c1-18-14-19(2)17-30(16-18)13-5-12-28-26(31)23-15-25(29-24-7-4-3-6-22(23)24)32-21-10-8-20(27)9-11-21/h3-4,6-11,15,18-19H,5,12-14,16-17H2,1-2H3,(H,28,31)