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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(5-ethanoylpyridin-3-yl)sulfanyl-benzamide Openeye Name: 4-[(5-acetyl-3-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: 4-[(5-acetyl-3-pyridinyl)thio]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-(5-acetylpyridin-3-yl)sulfanyl-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(5-acetyl-3-pyridyl)thio]-N-quinuclidin-3-yl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-14(25)17-10-19(12-22-11-17)27-18-4-2-16(3-5-18)21(26)23-20-13-24-8-6-15(20)7-9-24/h2-5,10-12,15,20H,6-9,13H2,1H3,(H,23,26)