4-(3,5-dimethylpiperidin-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisocarbostyril Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C27H34N2O4S/c1-16-11-17(2)15-29(14-16)27(31)24-20-12-22(32-4)23(33-5)13-21(20)26(30)28(3)25(24)18-7-9-19(34-6)10-8-18/h7-10,12-13,16-17,24-25H,11,14-15H2,1-6H3