4-Chloro-3-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 535948-61-9]

Identification

• Name: 4-Chloro-3-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₂₀H₂₁ClN₂O₄S
• Molecular Weight: 420.91
• CAS Registry Number: 535948-61-9
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)COc1cc(ccc1C(C)C)C)C(=O)O
• InChI: 1S/C20H21ClN2O4S/c1-11(2)14-6-4-12(3)8-17(14)27-10-18(24)23-20(28)22-16-9-13(19(25)26)5-7-15(16)21/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: HUJCAODNILDOLM-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Refractive index: 1.645 (Cal.)