1-[[6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carbonyl]isonipecotamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)C(=O)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCC(CC3)C(=O)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H31N3O5S/c1-28-23(15-5-7-17(35-4)8-6-15)22(26(32)29-11-9-16(10-12-29)24(27)30)18-13-20(33-2)21(34-3)14-19(18)25(28)31/h5-8,13-14,16,22-23H,9-12H2,1-4H3,(H2,27,30)