1-[2-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[2-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[2-[(6-methoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[2-[(6-methoxy-1-isoquinolinyl)methylsulfinyl]-1-benzimidazolyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[2-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[2-[(6-methoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=C3C=CC(=C4)OC

InChI

InChI=1S/C24H25N3O3S/c1-24(2,3)22(28)14-27-21-8-6-5-7-19(21)26-23(27)31(29)15-20-18-10-9-17(30-4)13-16(18)11-12-25-20/h5-13H,14-15H2,1-4H3