4-Chloro-3-[({[4-(2-Methyl-2-Propanyl)Phenoxy]Acetyl}Carbamothioyl)Amino]Benzoic Acid
[CAS# 536977-88-5]

Identification

• Name: 4-Chloro-3-[({[4-(2-Methyl-2-Propanyl)Phenoxy]Acetyl}Carbamothioyl)Amino]Benzoic Acid
• Molecular Formula: C₂₀H₂₁ClN₂O₄S
• Molecular Weight: 420.91
• CAS Registry Number: 536977-88-5
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)COc1ccc(cc1)C(C)(C)C)C(=O)O
• InChI: 1S/C20H21ClN2O4S/c1-20(2,3)13-5-7-14(8-6-13)27-11-17(24)23-19(28)22-16-10-12(18(25)26)4-9-15(16)21/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: RYNIOABPAZNRIY-UHFFFAOYSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Refractive index: 1.64 (Cal.)