O-[[1-[(6,7-dimethoxyisoquinolin-1-yl)methyl]benzimidazol-2-yl]methyl] butanethioate

Systemtic Name: O-[[1-[(6,7-dimethoxyisoquinolin-1-yl)methyl]benzimidazol-2-yl]methyl] butanethioate Openeye Name: O-[[1-[(6,7-dimethoxy-1-isoquinolyl)methyl]benzimidazol-2-yl]methyl] butanethioate CAS Name: butanethioic acid O-[[1-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-2-benzimidazolyl]methyl] ester IUPAC Name: O-[[1-[(6,7-dimethoxyisoquinolin-1-yl)methyl]benzimidazol-2-yl]methyl] butanethioate Traditional Name: butanethioic acid O-[[1-[(6,7-dimethoxy-1-isoquinolyl)methyl]benzimidazol-2-yl]methyl] ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=S)OCC1=NC2=CC=CC=C2N1CC3=NC=CC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCCC(=S)OCC1=NC2=CC=CC=C2N1CC3=NC=CC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C24H25N3O3S/c1-4-7-24(31)30-15-23-26-18-8-5-6-9-20(18)27(23)14-19-17-13-22(29-3)21(28-2)12-16(17)10-11-25-19/h5-6,8-13H,4,7,14-15H2,1-3H3