1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylthio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorobenzyl)thio]ethanone Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H22FNO3S/c1-24-18-9-15-7-8-22(11-16(15)10-19(18)25-2)20(23)13-26-12-14-3-5-17(21)6-4-14/h3-6,9-10H,7-8,11-13H2,1-2H3