3,5-Dibromo-2-({[3-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 586393-79-5]

Identification

• Name: 3,5-Dibromo-2-({[3-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₂₂H₁₆Br₂N₂O₄S
• Molecular Weight: 564.25
• CAS Registry Number: 586393-79-5
• SMILES: Brc3cc(Br)cc(c3NC(=S)NC(=O)c1cccc(c1)COc2ccccc2)C(=O)O
• InChI: 1S/C22H16Br2N2O4S/c23-15-10-17(21(28)29)19(18(24)11-15)25-22(31)26-20(27)14-6-4-5-13(9-14)12-30-16-7-2-1-3-8-16/h1-11H,12H2,(H,28,29)(H2,25,26,27,31)
• InChIKey: DTBCBVDLVZWXIY-UHFFFAOYSA-N

Properties

• Density: 1.719g/cm³ (Cal.)
• Refractive index: 1.721 (Cal.)