4-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532389-58-5]

Identification

• Name: 4-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₂₀H₂₂N₂O₄S
• Molecular Weight: 386.46
• CAS Registry Number: 532389-58-5
• SMILES: O=C(O)c1ccc(cc1)NC(=S)NC(=O)COc2cc(ccc2C(C)C)C
• InChI: 1S/C20H22N2O4S/c1-12(2)16-9-4-13(3)10-17(16)26-11-18(23)22-20(27)21-15-7-5-14(6-8-15)19(24)25/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: PLXOUVIDZPEUFD-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Refractive index: 1.641 (Cal.)