N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H13N3O5S/c19-13(8-24-14-3-1-2-6-18(14)21)17-15(20)16-10-4-5-11-12(7-10)23-9-22-11/h1-7H,8-9H2,(H2,16,17,19,20)