N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(5-morpholin-4-ylpyridin-3-yl)sulfanyl-benzamide

Systemtic Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(5-morpholin-4-ylpyridin-3-yl)sulfanyl-benzamide Openeye Name: N-(2-methylquinuclidin-3-yl)-4-[(5-morpholino-3-pyridyl)sulfanyl]benzamide CAS Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[[5-(4-morpholinyl)-3-pyridinyl]thio]benzamide IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(5-morpholin-4-ylpyridin-3-yl)sulfanylbenzamide Traditional Name: N-(2-methylquinuclidin-3-yl)-4-[(5-morpholino-3-pyridyl)thio]benzamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CN=CC(=C4)N5CCOCC5

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CN=CC(=C4)N5CCOCC5

InChI

InChI=1S/C24H30N4O2S/c1-17-23(18-6-8-27(17)9-7-18)26-24(29)19-2-4-21(5-3-19)31-22-14-20(15-25-16-22)28-10-12-30-13-11-28/h2-5,14-18,23H,6-13H2,1H3,(H,26,29)