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

Systemtic Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(6-methylpyridin-2-yl)sulfanyl-benzamide Openeye Name: 4-[(6-methyl-2-pyridyl)sulfanyl]-N-(2-methylquinuclidin-3-yl)benzamide CAS Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(6-methyl-2-pyridinyl)thio]benzamide IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(6-methylpyridin-2-yl)sulfanylbenzamide Traditional Name: 4-[(6-methyl-2-pyridyl)thio]-N-(2-methylquinuclidin-3-yl)benzamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=N4)C

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC(=N4)C

InChI

InChI=1S/C21H25N3OS/c1-14-4-3-5-19(22-14)26-18-8-6-17(7-9-18)21(25)23-20-15(2)24-12-10-16(20)11-13-24/h3-9,15-16,20H,10-13H2,1-2H3,(H,23,25)