3-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-1H-benzimidazole-2-thione

Systemtic Name: 3-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-1H-benzimidazole-2-thione Openeye Name: 3-[(6,7-dimethoxy-1-isoquinolyl)methyl]-1H-benzimidazole-2-thione CAS Name: 3-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-1H-benzimidazole-2-thione IUPAC Name: 3-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-1H-benzimidazole-2-thione Traditional Name: 3-[(6,7-dimethoxy-1-isoquinolyl)methyl]-1H-benzimidazole-2-thione Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CN3C4=CC=CC=C4NC3=S)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CN3C4=CC=CC=C4NC3=S)OC

InChI

InChI=1S/C19H17N3O2S/c1-23-17-9-12-7-8-20-15(13(12)10-18(17)24-2)11-22-16-6-4-3-5-14(16)21-19(22)25/h3-10H,11H2,1-2H3,(H,21,25)