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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazinyl)-oxomethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisocarbostyril Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H33N3O4S/c1-6-28-11-13-29(14-12-28)26(31)23-19-15-21(32-3)22(33-4)16-20(19)25(30)27(2)24(23)17-7-9-18(34-5)10-8-17/h7-10,15-16,23-24H,6,11-14H2,1-5H3