1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,4-dimethylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,4-dimethylphenyl)sulfanyl-propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,4-dimethylphenyl)sulfanyl-propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,4-dimethylphenyl)thio]-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3,4-dimethylphenyl)thio]propan-1-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C

InChI

InChI=1S/C22H27NO3S/c1-15-5-6-19(11-16(15)2)27-10-8-22(24)23-9-7-17-12-20(25-3)21(26-4)13-18(17)14-23/h5-6,11-13H,7-10,14H2,1-4H3