5-Iodo-2-({[3-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 531534-43-7]

Identification

• Name: 5-Iodo-2-({[3-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₂₂H₁₇IN₂O₄S
• Molecular Weight: 532.35
• CAS Registry Number: 531534-43-7
• SMILES: Ic1ccc(c(C(=O)O)c1)NC(=S)NC(=O)c2cc(ccc2)COc3ccccc3
• InChI: 1S/C22H17IN2O4S/c23-16-9-10-19(18(12-16)21(27)28)24-22(30)25-20(26)15-6-4-5-14(11-15)13-29-17-7-2-1-3-8-17/h1-12H,13H2,(H,27,28)(H2,24,25,26,30)
• InChIKey: JGWNNCUBYFHXKN-UHFFFAOYSA-N

Properties

• Density: 1.674g/cm³ (Cal.)
• Refractive index: 1.733 (Cal.)