[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)OC

InChI

InChI=1S/C26H25N3O3S/c1-31-23-13-19-11-12-29(15-20(19)14-24(23)32-2)25(30)18-9-7-17(8-10-18)16-33-26-27-21-5-3-4-6-22(21)28-26/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,28)