5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]isophthalamide Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N)[O-]

InChI

InChI=1S/C15H14N4O4S/c16-14(21)9-5-10(15(17)22)7-11(6-9)18-12(20)8-24-13-3-1-2-4-19(13)23/h1-7H,8H2,(H2,16,21)(H2,17,22)(H,18,20)