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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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