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

Systemtic Name: 1-[1-(4-methylphenyl)-7-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[7-(2-oxo-2-thiomorpholino-ethoxy)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[1-(4-methylphenyl)-7-(2-oxo-2-thiomorpholin-4-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[1-(4-methylphenyl)-7-(2-oxo-2-thiomorpholin-4-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[7-(2-keto-2-thiomorpholino-ethoxy)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=C(C=C2)OCC(=O)N4CCSCC4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=C(C=C2)OCC(=O)N4CCSCC4

InChI

InChI=1S/C25H30N2O3S/c1-3-23(28)27-11-10-19-8-9-21(30-17-24(29)26-12-14-31-15-13-26)16-22(19)25(27)20-6-4-18(2)5-7-20/h4-9,16,25H,3,10-15,17H2,1-2H3