3-(2-methylsulfanylphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one

Systemtic Name: 3-(2-methylsulfanylphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one Openeye Name: 3-(2-methylsulfanylphenyl)-7-morpholino-2H-isoquinolin-1-one CAS Name: 3-[2-(methylthio)phenyl]-7-(4-morpholinyl)-2H-isoquinolin-1-one IUPAC Name: 3-(2-methylsulfanylphenyl)-7-morpholin-4-yl-2H-isoquinolin-1-one Traditional Name: 3-[2-(methylthio)phenyl]-7-morpholino-isocarbostyril Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2

Isomeric SMILES

CSC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2

InChI

InChI=1S/C20H20N2O2S/c1-25-19-5-3-2-4-16(19)18-12-14-6-7-15(13-17(14)20(23)21-18)22-8-10-24-11-9-22/h2-7,12-13H,8-11H2,1H3,(H,21,23)