2-[[2-cyclopropylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-ethanone

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-ethanone CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-ethanone Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CCN2C(=O)C4CC4)C=CC(=C3)OCC(=O)N5CCSCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2C3=C(CCN2C(=O)C4CC4)C=CC(=C3)OCC(=O)N5CCSCC5

InChI

InChI=1S/C26H30N2O3S/c1-18-3-2-4-21(15-18)25-23-16-22(31-17-24(29)27-11-13-32-14-12-27)8-7-19(23)9-10-28(25)26(30)20-5-6-20/h2-4,7-8,15-16,20,25H,5-6,9-14,17H2,1H3