N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide

Systemtic Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide Openeye Name: N-(2-methylquinuclidin-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide CAS Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylthio)benzamide IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide Traditional Name: N-(2-methylquinuclidin-3-yl)-4-(1H-pyrrol-2-ylthio)benzamide Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CN4

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CN4

InChI

InChI=1S/C19H23N3OS/c1-13-18(14-8-11-22(13)12-9-14)21-19(23)15-4-6-16(7-5-15)24-17-3-2-10-20-17/h2-7,10,13-14,18,20H,8-9,11-12H2,1H3,(H,21,23)