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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide Openeye Name: 4-(1H-pyrrol-2-ylsulfanyl)-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylthio)benzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1H-pyrrol-2-ylsulfanyl)benzamide Traditional Name: 4-(1H-pyrrol-2-ylthio)-N-quinuclidin-3-yl-benzamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CN4

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CN4

InChI

InChI=1S/C18H21N3OS/c22-18(20-16-12-21-10-7-13(16)8-11-21)14-3-5-15(6-4-14)23-17-2-1-9-19-17/h1-6,9,13,16,19H,7-8,10-12H2,(H,20,22)