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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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