2-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide

Systemtic Name: 2-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide Openeye Name: 2-[4-(quinuclidin-3-ylcarbamoyl)phenyl]sulfanylbenzamide CAS Name: 2-[[4-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]phenyl]thio]benzamide IUPAC Name: 2-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]sulfanylbenzamide Traditional Name: 2-[[4-(quinuclidin-3-ylcarbamoyl)phenyl]thio]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C21H23N3O2S/c22-20(25)17-3-1-2-4-19(17)27-16-7-5-15(6-8-16)21(26)23-18-13-24-11-9-14(18)10-12-24/h1-8,14,18H,9-13H2,(H2,22,25)(H,23,26)