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

Systemtic Name: 3-[3-[5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Openeye Name: 3-[3-[5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CAS Name: 3-[[3-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Traditional Name: 3-[3-[5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid Formula: C20H15BrN2O4S2 MolecularWeight: 491.3781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O4S2/c21-14-5-1-3-12(9-14)10-16-18(25)23(20(28)29-16)8-7-17(24)22-15-6-2-4-13(11-15)19(26)27/h1-6,9-11H,7-8H2,(H,22,24)(H,26,27)