1-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-ethyl-benzimidazole-2-thione

Systemtic Name: 1-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-ethyl-benzimidazole-2-thione Openeye Name: 1-ethyl-3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzimidazole-2-thione CAS Name: 1-ethyl-3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-benzimidazolethione IUPAC Name: 1-ethyl-3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzimidazole-2-thione Traditional Name: 1-ethyl-3-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzimidazole-2-thione Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)CN3CC(C4=C(C=CC(=C4C3)OC)OC)O

InChI

InChI=1S/C21H25N3O3S/c1-4-23-15-7-5-6-8-16(15)24(21(23)28)13-22-11-14-18(26-2)9-10-19(27-3)20(14)17(25)12-22/h5-10,17,25H,4,11-13H2,1-3H3