N-(furan-2-ylmethylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC(=O)NCC2=CC=CO2)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC(=O)NCC2=CC=CO2)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-11(9-21-12-5-1-2-6-16(12)19)15-13(18)14-8-10-4-3-7-20-10/h1-7H,8-9H2,(H2,14,15,17,18)