4-[4-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)phenyl]sulfanylbenzamide

Systemtic Name: 4-[4-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)phenyl]sulfanylbenzamide Openeye Name: 4-[4-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)phenyl]sulfanylbenzamide CAS Name: 4-[[4-[(2-azabicyclo[2.2.1]heptan-5-ylamino)-oxomethyl]phenyl]thio]benzamide IUPAC Name: 4-[4-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)phenyl]sulfanylbenzamide Traditional Name: 4-[[4-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)phenyl]thio]benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(C1CN2)NC(=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1C2CC(C1CN2)NC(=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C20H21N3O2S/c21-19(24)12-1-5-16(6-2-12)26-17-7-3-13(4-8-17)20(25)23-18-10-15-9-14(18)11-22-15/h1-8,14-15,18,22H,9-11H2,(H2,21,24)(H,23,25)