N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-morpholin-4-ylpyridin-2-yl)sulfanyl-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-morpholin-4-ylpyridin-2-yl)sulfanyl-benzamide Openeye Name: 4-[(6-morpholino-2-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[6-(4-morpholinyl)-2-pyridinyl]thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-morpholin-4-ylpyridin-2-yl)sulfanylbenzamide Traditional Name: 4-[(6-morpholino-2-pyridyl)thio]-N-quinuclidin-3-yl-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=N4)N5CCOCC5

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=N4)N5CCOCC5

InChI

InChI=1S/C23H28N4O2S/c28-23(24-20-16-26-10-8-17(20)9-11-26)18-4-6-19(7-5-18)30-22-3-1-2-21(25-22)27-12-14-29-15-13-27/h1-7,17,20H,8-16H2,(H,24,28)