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

Systemtic Name: 4-[4-[5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Openeye Name: 4-[4-[4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid CAS Name: 4-[[4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Traditional Name: 4-[4-[4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S2/c1-14-4-6-15(7-5-14)13-18-20(26)24(22(29)30-18)12-2-3-19(25)23-17-10-8-16(9-11-17)21(27)28/h4-11,13H,2-3,12H2,1H3,(H,23,25)(H,27,28)