3-[4-(dimethylamino)piperidin-1-yl]-5-methylsulfanyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(dimethylamino)piperidin-1-yl]-5-methylsulfanyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(dimethylamino)-1-piperidyl]-5-methylsulfanyl-2H-isoquinolin-1-one CAS Name: 3-[4-(dimethylamino)-1-piperidinyl]-5-(methylthio)-2H-isoquinolin-1-one IUPAC Name: 3-[4-(dimethylamino)piperidin-1-yl]-5-methylsulfanyl-2H-isoquinolin-1-one Traditional Name: 3-[4-(dimethylamino)piperidino]-5-(methylthio)isocarbostyril Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C2=CC3=C(C=CC=C3SC)C(=O)N2

Isomeric SMILES

CN(C)C1CCN(CC1)C2=CC3=C(C=CC=C3SC)C(=O)N2

InChI

InChI=1S/C17H23N3OS/c1-19(2)12-7-9-20(10-8-12)16-11-14-13(17(21)18-16)5-4-6-15(14)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)