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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 3-benzylsulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenylmethylthio)-1-propanone IUPAC Name: 3-benzylsulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(benzylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C19H21NOS/c21-19(11-13-22-15-16-6-2-1-3-7-16)20-12-10-17-8-4-5-9-18(17)14-20/h1-9H,10-15H2