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

Systemtic Name: 2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-butan-1-one Openeye Name: 2-[[2-propanoyl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one CAS Name: 2-[[1-(4-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-1-butanone IUPAC Name: 2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylbutan-1-one Traditional Name: 2-[[2-propionyl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-butan-1-one Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCSCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)CC)C=C2

Isomeric SMILES

CCC(C(=O)N1CCSCC1)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)CC)C=C2

InChI

InChI=1S/C27H34N2O3S/c1-4-24(27(31)28-14-16-33-17-15-28)32-22-11-10-20-12-13-29(25(30)5-2)26(23(20)18-22)21-8-6-19(3)7-9-21/h6-11,18,24,26H,4-5,12-17H2,1-3H3