4-(4-aminophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)benzamide

Systemtic Name: 4-(4-aminophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)benzamide Openeye Name: 4-(4-aminophenyl)sulfanyl-N-(6-methylquinuclidin-3-yl)benzamide CAS Name: 4-[(4-aminophenyl)thio]-N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)benzamide IUPAC Name: 4-(4-aminophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)benzamide Traditional Name: 4-[(4-aminophenyl)thio]-N-(6-methylquinuclidin-3-yl)benzamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CCN1CC2NC(=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

CC1CC2CCN1CC2NC(=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C21H25N3OS/c1-14-12-16-10-11-24(14)13-20(16)23-21(25)15-2-6-18(7-3-15)26-19-8-4-17(22)5-9-19/h2-9,14,16,20H,10-13,22H2,1H3,(H,23,25)