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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-14-5-6-18(9-15(14)2)26-13-21(23)22-8-7-16-10-19(24-3)20(25-4)11-17(16)12-22/h5-6,9-11H,7-8,12-13H2,1-4H3