N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H15N3O5S/c20-14(10-25-15-3-1-2-6-19(15)22)18-16(21)17-11-4-5-12-13(9-11)24-8-7-23-12/h1-6,9H,7-8,10H2,(H2,17,18,20,21)