2-(2,4-dimethylquinolin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(2,4-dimethylquinolin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(2,4-dimethyl-3-quinolyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]acetamide CAS Name: 2-(2,4-dimethyl-3-quinolinyl)-N-[4-(3-pyridinylmethylthio)phenyl]acetamide IUPAC Name: 2-(2,4-dimethylquinolin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide Traditional Name: 2-(2,4-dimethyl-3-quinolyl)-N-[4-(3-pyridylmethylthio)phenyl]acetamide Formula: C25H23N3OS MolecularWeight: 413.53462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-17-22-7-3-4-8-24(22)27-18(2)23(17)14-25(29)28-20-9-11-21(12-10-20)30-16-19-6-5-13-26-15-19/h3-13,15H,14,16H2,1-2H3,(H,28,29)