5-[[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(thiadiazole-4-carbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[oxo-[[[4-[[oxo(4-thiadiazolyl)methyl]amino]phenyl]thio]amino]methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(thiadiazole-4-carbonylamino)phenyl]sulfanylcarbamoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[4-(thiadiazole-4-carbonylamino)phenyl]thio]carbamoylamino]isophthalic acid Formula: C18H13N5O6S2 MolecularWeight: 459.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)SNC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)SNC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N5O6S2/c24-15(14-8-30-23-21-14)19-11-1-3-13(4-2-11)31-22-18(29)20-12-6-9(16(25)26)5-10(7-12)17(27)28/h1-8H,(H,19,24)(H,25,26)(H,27,28)(H2,20,22,29)