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

Systemtic Name: 4-[4-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate Openeye Name: 4-[4-[(5E)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoate CAS Name: 4-[[4-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoate IUPAC Name: 4-[4-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate Traditional Name: 4-[4-[(5E)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoate Formula: C21H16BrN2O4S2- MolecularWeight: 504.39674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H17BrN2O4S2/c22-15-4-1-3-13(11-15)12-17-19(26)24(21(29)30-17)10-2-5-18(25)23-16-8-6-14(7-9-16)20(27)28/h1,3-4,6-9,11-12H,2,5,10H2,(H,23,25)(H,27,28)/p-1/b17-12+