3-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 531542-34-4]

Identification

• Name: 3-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Molecular Formula: C₂₁H₂₄N₂O₄S
• Molecular Weight: 400.49
• CAS Registry Number: 531542-34-4
• SMILES: O=C(O)c1cc(c(cc1)C)NC(=S)NC(=O)COc2cc(ccc2C(C)C)C
• InChI: 1S/C21H24N2O4S/c1-12(2)16-8-5-13(3)9-18(16)27-11-19(24)23-21(28)22-17-10-15(20(25)26)7-6-14(17)4/h5-10,12H,11H2,1-4H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: BVHGKSYYPSNREN-UHFFFAOYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Refractive index: 1.633 (Cal.)