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

Systemtic Name: N-(tert-butylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C13H19N3O3S MolecularWeight: 297.37326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H19N3O3S/c1-9(20-10-7-5-6-8-16(10)19)11(17)14-12(18)15-13(2,3)4/h5-9H,1-4H3,(H2,14,15,17,18)