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

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-[3-(4-methyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[3-(4-methyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[3-(4-methylpiperidino)propyl]cinchoninamide Formula: C25H28FN3OS MolecularWeight: 437.572723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3OS/c1-18-11-15-29(16-12-18)14-4-13-27-25(30)22-17-24(28-23-6-3-2-5-21(22)23)31-20-9-7-19(26)8-10-20/h2-3,5-10,17-18H,4,11-16H2,1H3,(H,27,30)