2-oxidanyl-4-[(pyridin-4-ylcarbonylamino)carbamothioylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[(pyridin-4-ylcarbonylamino)carbamothioylamino]benzoic acid Openeye Name: 2-hydroxy-4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoic acid CAS Name: 2-hydroxy-4-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoic acid Traditional Name: 2-hydroxy-4-(isonicotinamidothiocarbamoylamino)benzoic acid Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NNC(=O)C2=CC=NC=C2)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NNC(=O)C2=CC=NC=C2)O)C(=O)O

InChI

InChI=1S/C14H12N4O4S/c19-11-7-9(1-2-10(11)13(21)22)16-14(23)18-17-12(20)8-3-5-15-6-4-8/h1-7,19H,(H,17,20)(H,21,22)(H2,16,18,23)