(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(thiazol-4-ylmethylsulfanyl)phenyl]methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-thiazolylmethylthio)phenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(thiazol-4-ylmethylthio)phenyl]methanone Formula: C22H22N2O3S2 MolecularWeight: 426.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3SCC4=CSC=N4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3SCC4=CSC=N4)OC

InChI

InChI=1S/C22H22N2O3S2/c1-26-19-9-15-7-8-24(11-16(15)10-20(19)27-2)22(25)18-5-3-4-6-21(18)29-13-17-12-28-14-23-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3