6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C30H33N3O4S/c1-31-28(20-10-12-22(38-4)13-11-20)27(23-18-25(36-2)26(37-3)19-24(23)29(31)34)30(35)33-16-14-32(15-17-33)21-8-6-5-7-9-21/h5-13,18-19,27-28H,14-17H2,1-4H3