[2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazol-1-yl]methyl butanoate

Systemtic Name: [2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazol-1-yl]methyl butanoate Openeye Name: [2-[(6,7-dimethoxy-1-isoquinolyl)methylsulfanyl]benzimidazol-1-yl]methyl butanoate CAS Name: butanoic acid [2-[(6,7-dimethoxy-1-isoquinolinyl)methylthio]-1-benzimidazolyl]methyl ester IUPAC Name: [2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfanyl]benzimidazol-1-yl]methyl butanoate Traditional Name: butyric acid [2-[(6,7-dimethoxy-1-isoquinolyl)methylthio]benzimidazol-1-yl]methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1C2=CC=CC=C2N=C1SCC3=NC=CC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCCC(=O)OCN1C2=CC=CC=C2N=C1SCC3=NC=CC4=CC(=C(C=C43)OC)OC

InChI

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