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

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

Isomeric SMILES

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

InChI

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