2-(4-chlorophenyl)sulfanyl-N-hexyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-hexyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-hexyl-quinoline-4-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-hexyl-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-hexylquinoline-4-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-hexyl-cinchoninamide Formula: C22H23ClN2OS MolecularWeight: 398.94882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-2-3-4-7-14-24-22(26)19-15-21(25-20-9-6-5-8-18(19)20)27-17-12-10-16(23)11-13-17/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,24,26)