N-(3-ethoxypropyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(3-ethoxypropyl)-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C21H21FN2O2S MolecularWeight: 384.467043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

Isomeric SMILES

CCOCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2S/c1-2-26-13-5-12-23-21(25)18-14-20(24-19-7-4-3-6-17(18)19)27-16-10-8-15(22)9-11-16/h3-4,6-11,14H,2,5,12-13H2,1H3,(H,23,25)