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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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