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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCCN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

InChI

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