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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-methylpyridin-2-yl)sulfanyl-benzamide Openeye Name: 4-[(5-methyl-2-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)thio]benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-methylpyridin-2-yl)sulfanylbenzamide Traditional Name: 4-[(5-methyl-2-pyridyl)thio]-N-quinuclidin-3-yl-benzamide Formula: C20H23N3OS MolecularWeight: 353.48112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)SC2=CC=C(C=C2)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

CC1=CN=C(C=C1)SC2=CC=C(C=C2)C(=O)NC3CN4CCC3CC4

InChI

InChI=1S/C20H23N3OS/c1-14-2-7-19(21-12-14)25-17-5-3-16(4-6-17)20(24)22-18-13-23-10-8-15(18)9-11-23/h2-7,12,15,18H,8-11,13H2,1H3,(H,22,24)