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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethylphenyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethylphenyl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethylphenyl)thio]propan-1-one Formula: C20H23NOS MolecularWeight: 325.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC(C)C(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC(C)C(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H23NOS/c1-14-8-9-19(12-15(14)2)23-16(3)20(22)21-11-10-17-6-4-5-7-18(17)13-21/h4-9,12,16H,10-11,13H2,1-3H3