N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide

Systemtic Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide Openeye Name: N-(6-methylquinuclidin-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide CAS Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)-4-(1H-pyrrol-2-ylthio)benzamide IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide Traditional Name: N-(6-methylquinuclidin-3-yl)-4-(1H-pyrrol-2-ylthio)benzamide Formula: C19H23N3OS MolecularWeight: 341.47042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CCN1CC2NC(=O)C3=CC=C(C=C3)SC4=CC=CN4

Isomeric SMILES

CC1CC2CCN1CC2NC(=O)C3=CC=C(C=C3)SC4=CC=CN4

InChI

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