N-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[5-(3-fluorophenyl)-8-isoquinolinyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]-2-(phenylthio)acetamide Formula: C24H19FN2OS MolecularWeight: 402.483863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H19FN2OS/c25-19-6-4-5-17(13-19)21-10-9-18(23-15-26-12-11-22(21)23)14-27-24(28)16-29-20-7-2-1-3-8-20/h1-13,15H,14,16H2,(H,27,28)