N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-3-azabicyclo[2.2.2]octane-3-carboxamide

Systemtic Name: N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-3-azabicyclo[2.2.2]octane-3-carboxamide Openeye Name: N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxamide CAS Name: N-[4-methoxy-7-(4-oxanyl)-1,3-benzothiazol-2-yl]-3-azabicyclo[2.2.2]octane-3-carboxamide IUPAC Name: N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-3-azabicyclo[2.2.2]octane-3-carboxamide Traditional Name: N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3CCOCC3)SC(=N2)NC(=O)N4CC5CCC4CC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3CCOCC3)SC(=N2)NC(=O)N4CC5CCC4CC5

InChI

InChI=1S/C21H27N3O3S/c1-26-17-7-6-16(14-8-10-27-11-9-14)19-18(17)22-20(28-19)23-21(25)24-12-13-2-4-15(24)5-3-13/h6-7,13-15H,2-5,8-12H2,1H3,(H,22,23,25)