4-[4-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)carbamoyl]phenyl]sulfanylbenzamide

Systemtic Name: 4-[4-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)carbamoyl]phenyl]sulfanylbenzamide Openeye Name: 4-[4-[(2-methylquinuclidin-3-yl)carbamoyl]phenyl]sulfanylbenzamide CAS Name: 4-[[4-[[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)amino]-oxomethyl]phenyl]thio]benzamide IUPAC Name: 4-[4-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)carbamoyl]phenyl]sulfanylbenzamide Traditional Name: 4-[[4-[(2-methylquinuclidin-3-yl)carbamoyl]phenyl]thio]benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-14-20(15-10-12-25(14)13-11-15)24-22(27)17-4-8-19(9-5-17)28-18-6-2-16(3-7-18)21(23)26/h2-9,14-15,20H,10-13H2,1H3,(H2,23,26)(H,24,27)