5-(4-acetamidophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide

Systemtic Name: 5-(4-acetamidophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide Openeye Name: 5-(4-acetamidophenyl)sulfanyl-N-(2-methylquinuclidin-3-yl)thiophene-2-carboxamide CAS Name: 5-[(4-acetamidophenyl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-thiophenecarboxamide IUPAC Name: 5-(4-acetamidophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide Traditional Name: 5-[(4-acetamidophenyl)thio]-N-(2-methylquinuclidin-3-yl)thiophene-2-carboxamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)SC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)SC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C21H25N3O2S2/c1-13-20(15-9-11-24(13)12-10-15)23-21(26)18-7-8-19(28-18)27-17-5-3-16(4-6-17)22-14(2)25/h3-8,13,15,20H,9-12H2,1-2H3,(H,22,25)(H,23,26)