3-(3-methylpiperidin-1-yl)-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(3-methylpiperidin-1-yl)-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(3-methyl-1-piperidyl)-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(3-methyl-1-piperidinyl)-1-[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 3-(3-methylpiperidin-1-yl)-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(3-methylpiperidino)-1-[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C19H28N2OS MolecularWeight: 332.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCC(=O)N2CCC3=C(C2)C=CC(=C3)SC

Isomeric SMILES

CC1CCCN(C1)CCC(=O)N2CCC3=C(C2)C=CC(=C3)SC

InChI

InChI=1S/C19H28N2OS/c1-15-4-3-9-20(13-15)10-8-19(22)21-11-7-16-12-18(23-2)6-5-17(16)14-21/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3