3-[2-[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H28N4O3S/c1-35-25-17-21-13-16-33(28(20-9-4-3-5-10-20)22(21)18-26(25)36-2)27(34)19-37-29-31-23-11-6-7-12-24(23)32(29)15-8-14-30/h3-7,9-12,17-18,28H,8,13,15-16,19H2,1-2H3/t28-/m1/s1