4-[3-[5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Openeye Name: 4-[3-[4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CAS Name: 4-[[3-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Traditional Name: 4-[3-[4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4S2/c1-13-2-4-14(5-3-13)12-17-19(25)23(21(28)29-17)11-10-18(24)22-16-8-6-15(7-9-16)20(26)27/h2-9,12H,10-11H2,1H3,(H,22,24)(H,26,27)