2-[4-[(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)carbamoyl]phenyl]sulfanylbenzamide

Systemtic Name: 2-[4-[(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)carbamoyl]phenyl]sulfanylbenzamide Openeye Name: 2-[4-[(6-methylquinuclidin-3-yl)carbamoyl]phenyl]sulfanylbenzamide CAS Name: 2-[[4-[[(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)amino]-oxomethyl]phenyl]thio]benzamide IUPAC Name: 2-[4-[(2-methyl-1-azabicyclo[2.2.2]octan-5-yl)carbamoyl]phenyl]sulfanylbenzamide Traditional Name: 2-[[4-[(6-methylquinuclidin-3-yl)carbamoyl]phenyl]thio]benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CCN1CC2NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)N

Isomeric SMILES

CC1CC2CCN1CC2NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)N

InChI

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