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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(6-ethanoylpyridin-3-yl)sulfanyl-benzamide Openeye Name: 4-[(6-acetyl-3-pyridyl)sulfanyl]-N-quinuclidin-3-yl-benzamide CAS Name: 4-[(6-acetyl-3-pyridinyl)thio]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-(6-acetylpyridin-3-yl)sulfanyl-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(6-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=NC=C(C=C1)SC2=CC=C(C=C2)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

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

InChI

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