3-[6-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid

Systemtic Name: 3-[6-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Openeye Name: 3-[6-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid CAS Name: 3-[[1-oxo-6-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]hexyl]amino]benzoic acid IUPAC Name: 3-[6-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Traditional Name: 3-[6-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H22N2O4S2/c26-20(24-18-11-7-10-17(15-18)22(28)29)12-5-2-6-13-25-21(27)19(31-23(25)30)14-16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,24,26)(H,28,29)/b19-14+