3-[[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]benzoic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC=C2C=CC(=O)C=C2O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC=C2C=CC(=O)C=C2O)C(=O)O

InChI

InChI=1S/C15H13N3O4S/c19-12-5-4-10(13(20)7-12)8-16-18-15(23)17-11-3-1-2-9(6-11)14(21)22/h1-8,16,20H,(H,21,22)(H2,17,18,23)