3-[[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]sulfanylcarbamoylamino]benzoic acid

Systemtic Name: 3-[[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]sulfanylcarbamoylamino]benzoic acid Openeye Name: 3-[[4-(thiadiazole-4-carbonylamino)phenyl]sulfanylcarbamoylamino]benzoic acid CAS Name: 3-[[oxo-[[[4-[[oxo(4-thiadiazolyl)methyl]amino]phenyl]thio]amino]methyl]amino]benzoic acid IUPAC Name: 3-[[4-(thiadiazole-4-carbonylamino)phenyl]sulfanylcarbamoylamino]benzoic acid Traditional Name: 3-[[[4-(thiadiazole-4-carbonylamino)phenyl]thio]carbamoylamino]benzoic acid Formula: C17H13N5O4S2 MolecularWeight: 415.44622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NSC2=CC=C(C=C2)NC(=O)C3=CSN=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NSC2=CC=C(C=C2)NC(=O)C3=CSN=N3)C(=O)O

InChI

InChI=1S/C17H13N5O4S2/c23-15(14-9-27-22-20-14)18-11-4-6-13(7-5-11)28-21-17(26)19-12-3-1-2-10(8-12)16(24)25/h1-9H,(H,18,23)(H,24,25)(H2,19,21,26)