3-[4-[2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate

Systemtic Name: 3-[4-[2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate Openeye Name: 3-[4-(5-benzylidene-2-oxo-4-thioxo-thiazolidin-3-yl)butanoylamino]benzoate CAS Name: 3-[[1-oxo-4-[2-oxo-5-(phenylmethylene)-4-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoate IUPAC Name: 3-[4-(5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate Traditional Name: 3-[4-(5-benzal-2-keto-4-thioxo-thiazolidin-3-yl)butanoylamino]benzoate Formula: C21H17N2O4S2- MolecularWeight: 425.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=S)N(C(=O)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=C2C(=S)N(C(=O)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(25)26)10-5-11-23-19(28)17(29-21(23)27)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,25,26)/p-1