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

Systemtic Name: 3-[2-[5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid Formula: C19H13BrN2O4S2 MolecularWeight: 477.35152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O4S2/c20-13-5-1-3-11(7-13)8-15-17(24)22(19(27)28-15)10-16(23)21-14-6-2-4-12(9-14)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)