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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

InChI

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