2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(3-pyridinylmethylthio)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(3-pyridylmethylthio)phenyl]acetamide Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-18(29)28-14-12-20-6-2-3-7-23(20)24(28)15-25(30)27-21-8-10-22(11-9-21)31-17-19-5-4-13-26-16-19/h2-14,16,24H,15,17H2,1H3,(H,27,30)