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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-morpholin-4-ylpyridin-4-yl)sulfanyl-benzamide Openeye Name: 4-[(2-morpholino-4-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(4-morpholinyl)-4-pyridinyl]thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-morpholin-4-ylpyridin-4-yl)sulfanylbenzamide Traditional Name: 4-[(2-morpholino-4-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(=NC=C4)N5CCOCC5

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC(=NC=C4)N5CCOCC5

InChI

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