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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(N2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1CC2CCC1C(N2)NC(=O)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)N

InChI

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