1-[6,7-dimethoxy-1-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-isoquinolin-1-yl]octan-1-one

Systemtic Name: 1-[6,7-dimethoxy-1-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-isoquinolin-1-yl]octan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(p-tolylsulfanyl)-3,4-dihydro-2H-isoquinolin-1-yl]octan-1-one CAS Name: 1-[6,7-dimethoxy-1-[(4-methylphenyl)thio]-3,4-dihydro-2H-isoquinolin-1-yl]-1-octanone IUPAC Name: 1-[6,7-dimethoxy-1-(4-methylphenyl)sulfanyl-3,4-dihydro-2H-isoquinolin-1-yl]octan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(p-tolylthio)-3,4-dihydro-2H-isoquinolin-1-yl]octan-1-one Formula: C26H35NO3S MolecularWeight: 441.626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1(C2=CC(=C(C=C2CCN1)OC)OC)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC(=O)C1(C2=CC(=C(C=C2CCN1)OC)OC)SC3=CC=C(C=C3)C

InChI

InChI=1S/C26H35NO3S/c1-5-6-7-8-9-10-25(28)26(31-21-13-11-19(2)12-14-21)22-18-24(30-4)23(29-3)17-20(22)15-16-27-26/h11-14,17-18,27H,5-10,15-16H2,1-4H3