4-(methylcarbamothioylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(methylcarbamothioylamino)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-(methylcarbamothioylamino)benzoic acid CAS Name: 2-hydroxy-4-[[methylamino(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-(methylcarbamothioylamino)benzoic acid Traditional Name: 2-hydroxy-4-(methylthiocarbamoylamino)benzoic acid Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

CNC(=S)NC1=CC(=C(C=C1)C(=O)O)O

InChI

InChI=1S/C9H10N2O3S/c1-10-9(15)11-5-2-3-6(8(13)14)7(12)4-5/h2-4,12H,1H3,(H,13,14)(H2,10,11,15)