N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoranyl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoranyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-6-fluoro-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-6-fluoro-2-(2-thienyl)cinchoninamide Formula: C23H28FN3OS MolecularWeight: 413.551323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCN(CC)CCC[C@H](C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C23H28FN3OS/c1-4-27(5-2)12-6-8-16(3)25-23(28)19-15-21(22-9-7-13-29-22)26-20-11-10-17(24)14-18(19)20/h7,9-11,13-16H,4-6,8,12H2,1-3H3,(H,25,28)/t16-/m0/s1