N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(2,6-dimethyl-1-piperidyl)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(2,6-dimethylpiperidino)propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C26H30FN3OS MolecularWeight: 451.599303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1CCCC(N1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F)C

InChI

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