N-(tert-butylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C12H17N3O3S/c1-12(2,3)14-11(17)13-9(16)8-19-10-6-4-5-7-15(10)18/h4-7H,8H2,1-3H3,(H2,13,14,16,17)