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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H39N3O4S MolecularWeight: 525.70266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C29H39N3O4S/c1-31-27(20-10-12-21(37-4)13-11-20)26(22-18-24(35-2)25(36-3)19-23(22)29(31)34)28(33)30-14-9-17-32-15-7-5-6-8-16-32/h10-13,18-19,26-27H,5-9,14-17H2,1-4H3,(H,30,33)