4-[[3-[(4-carboxy-3-oxidanyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[3-[(4-carboxy-3-oxidanyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[3-[(4-carboxy-3-hydroxy-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[[3-[[(4-carboxy-3-hydroxyanilino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[3-[(4-carboxy-3-hydroxy-phenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]-2-hydroxy-benzoic acid Formula: C22H18N4O6S2 MolecularWeight: 498.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)C(=O)O)O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)C(=O)O)O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H18N4O6S2/c27-17-9-13(4-6-15(17)19(29)30)25-21(33)23-11-2-1-3-12(8-11)24-22(34)26-14-5-7-16(20(31)32)18(28)10-14/h1-10,27-28H,(H,29,30)(H,31,32)(H2,23,25,33)(H2,24,26,34)