2-[[2-cyclopentylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-propan-1-one

Systemtic Name: 2-[[2-cyclopentylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-propan-1-one Openeye Name: 2-[[2-(cyclopentanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-propan-1-one CAS Name: 2-[[2-[cyclopentyl(oxo)methyl]-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-1-propanone IUPAC Name: 2-[[2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylpropan-1-one Traditional Name: 2-[[2-(cyclopentanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-propan-1-one Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CCN2C(=O)C4CCCC4)C=CC(=C3)OC(C)C(=O)N5CCSCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2C3=C(CCN2C(=O)C4CCCC4)C=CC(=C3)OC(C)C(=O)N5CCSCC5

InChI

InChI=1S/C29H36N2O3S/c1-20-6-5-9-24(18-20)27-26-19-25(34-21(2)28(32)30-14-16-35-17-15-30)11-10-22(26)12-13-31(27)29(33)23-7-3-4-8-23/h5-6,9-11,18-19,21,23,27H,3-4,7-8,12-17H2,1-2H3