4-[(5-ethanoyl-1H-pyrrol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

Systemtic Name: 4-[(5-ethanoyl-1H-pyrrol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Openeye Name: 4-[(5-acetyl-1H-pyrrol-2-yl)sulfanyl]-N-(2-methylquinuclidin-3-yl)benzamide CAS Name: 4-[(5-acetyl-1H-pyrrol-2-yl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide IUPAC Name: 4-[(5-acetyl-1H-pyrrol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide Traditional Name: 4-[(5-acetyl-1H-pyrrol-2-yl)thio]-N-(2-methylquinuclidin-3-yl)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=C(N4)C(=O)C

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=C(N4)C(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-13-20(15-9-11-24(13)12-10-15)23-21(26)16-3-5-17(6-4-16)27-19-8-7-18(22-19)14(2)25/h3-8,13,15,20,22H,9-12H2,1-2H3,(H,23,26)