3-[(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)sulfanylcarbothioylamino]benzoic acid

Systemtic Name: 3-[(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl)sulfanylcarbothioylamino]benzoic acid Openeye Name: 3-[(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)sulfanylcarbothioylamino]benzoic acid CAS Name: 3-[[[(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl)thio]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)sulfanylcarbothioylamino]benzoic acid Traditional Name: 3-[[(5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl)thio]carbothioylamino]benzoic acid Formula: C17H13N3O3S3 MolecularWeight: 403.49842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(NC2=S)SC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(NC2=S)SC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3S3/c21-14-13(19-16(24)20(14)12-7-2-1-3-8-12)26-17(25)18-11-6-4-5-10(9-11)15(22)23/h1-9,13H,(H,18,25)(H,19,24)(H,22,23)