N-(2,2-diethoxyethyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2,2-diethoxyethyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2,2-diethoxyethyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2,2-diethoxyethyl)-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2,2-diethoxyethyl)-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C22H23FN2O3S MolecularWeight: 414.493023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOC(CNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C22H23FN2O3S/c1-3-27-21(28-4-2)14-24-22(26)18-13-20(25-19-8-6-5-7-17(18)19)29-16-11-9-15(23)10-12-16/h5-13,21H,3-4,14H2,1-2H3,(H,24,26)