1-butanoyl-3-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]-2H-benzimidazole-2-carbaldehyde

Systemtic Name: 1-butanoyl-3-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]-2H-benzimidazole-2-carbaldehyde Openeye Name: 1-butanoyl-3-[(6,7-dimethoxy-1-isoquinolyl)methylsulfanyl]-2H-benzimidazole-2-carbaldehyde CAS Name: 1-[(6,7-dimethoxy-1-isoquinolinyl)methylthio]-3-(1-oxobutyl)-2H-benzimidazole-2-carboxaldehyde IUPAC Name: 1-butanoyl-3-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]-2H-benzimidazole-2-carbaldehyde Traditional Name: 1-butyryl-3-[(6,7-dimethoxy-1-isoquinolyl)methylthio]-2H-benzimidazole-2-carbaldehyde Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(N(C2=CC=CC=C21)SCC3=NC=CC4=CC(=C(C=C43)OC)OC)C=O

Isomeric SMILES

CCCC(=O)N1C(N(C2=CC=CC=C21)SCC3=NC=CC4=CC(=C(C=C43)OC)OC)C=O

InChI

InChI=1S/C24H25N3O4S/c1-4-7-24(29)26-19-8-5-6-9-20(19)27(23(26)14-28)32-15-18-17-13-22(31-3)21(30-2)12-16(17)10-11-25-18/h5-6,8-14,23H,4,7,15H2,1-3H3