4-[(5-methyl-2-sulfanyl-phenyl)carbothioylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(5-methyl-2-sulfanyl-phenyl)carbothioylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(5-methyl-2-sulfanyl-benzenecarbothioyl)amino]benzoic acid CAS Name: 2-hydroxy-4-[[(2-mercapto-5-methylphenyl)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(5-methyl-2-sulfanylbenzenecarbothioyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[(2-mercapto-5-methyl-thiobenzoyl)amino]benzoic acid Formula: C15H13NO3S2 MolecularWeight: 319.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S)C(=S)NC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S)C(=S)NC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C15H13NO3S2/c1-8-2-5-13(20)11(6-8)14(21)16-9-3-4-10(15(18)19)12(17)7-9/h2-7,17,20H,1H3,(H,16,21)(H,18,19)