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

Systemtic Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-phenylsulfanyl-benzamide Openeye Name: N-(2-methylquinuclidin-3-yl)-4-phenylsulfanyl-benzamide CAS Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(phenylthio)benzamide IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-phenylsulfanylbenzamide Traditional Name: N-(2-methylquinuclidin-3-yl)-4-(phenylthio)benzamide Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS/c1-15-20(16-11-13-23(15)14-12-16)22-21(24)17-7-9-19(10-8-17)25-18-5-3-2-4-6-18/h2-10,15-16,20H,11-14H2,1H3,(H,22,24)