1-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-2-phenylsulfanyl-propan-1-one CAS Name: 1-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-2-(phenylthio)-1-propanone IUPAC Name: 1-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-2-phenylsulfanylpropan-1-one Traditional Name: 2-methyl-1-[(1S)-1-methylol-3,4-dihydro-1H-isoquinolin-2-yl]-2-(phenylthio)propan-1-one Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC2=CC=CC=C2C1CO)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)N1CCC2=CC=CC=C2[C@H]1CO)SC3=CC=CC=C3

InChI

InChI=1S/C20H23NO2S/c1-20(2,24-16-9-4-3-5-10-16)19(23)21-13-12-15-8-6-7-11-17(15)18(21)14-22/h3-11,18,22H,12-14H2,1-2H3/t18-/m1/s1