1-(2,2-dimethylpropanoyl)-3-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]-2H-benzimidazole-2-carbaldehyde

Systemtic Name: 1-(2,2-dimethylpropanoyl)-3-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]-2H-benzimidazole-2-carbaldehyde Openeye Name: 1-(2,2-dimethylpropanoyl)-3-[(6-methoxy-1-isoquinolyl)methylsulfinyl]-2H-benzimidazole-2-carbaldehyde CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-3-[(6-methoxy-1-isoquinolinyl)methylsulfinyl]-2H-benzimidazole-2-carboxaldehyde IUPAC Name: 1-(2,2-dimethylpropanoyl)-3-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]-2H-benzimidazole-2-carbaldehyde Traditional Name: 1-[(6-methoxy-1-isoquinolyl)methylsulfinyl]-3-pivaloyl-2H-benzimidazole-2-carbaldehyde Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(N(C2=CC=CC=C21)S(=O)CC3=NC=CC4=C3C=CC(=C4)OC)C=O

Isomeric SMILES

CC(C)(C)C(=O)N1C(N(C2=CC=CC=C21)S(=O)CC3=NC=CC4=C3C=CC(=C4)OC)C=O

InChI

InChI=1S/C24H25N3O4S/c1-24(2,3)23(29)26-20-7-5-6-8-21(20)27(22(26)14-28)32(30)15-19-18-10-9-17(31-4)13-16(18)11-12-25-19/h5-14,22H,15H2,1-4H3