3-({[(4-Chloro-3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 461416-52-4]

Identification

• Name: 3-({[(4-Chloro-3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Molecular Formula: C₁₉H₁₉ClN₂O₄S
• Molecular Weight: 406.88
• CAS Registry Number: 461416-52-4
• SMILES: Clc2c(cc(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1C)cc2C)C
• InChI: 1S/C19H19ClN2O4S/c1-10-4-5-13(18(24)25)8-15(10)21-19(27)22-16(23)9-26-14-6-11(2)17(20)12(3)7-14/h4-8H,9H2,1-3H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: UNVXAODLMMSWDF-UHFFFAOYSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Refractive index: 1.659 (Cal.)