4-(2-aminophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4N

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4N

InChI

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