N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H35N3O4S/c1-6-30-13-7-8-18(30)16-28-26(31)24-20-14-22(33-3)23(34-4)15-21(20)27(32)29(2)25(24)17-9-11-19(35-5)12-10-17/h9-12,14-15,18,24-25H,6-8,13,16H2,1-5H3,(H,28,31)