3-({[(4-Chloro-3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 461415-71-4]

Identification

• Name: 3-({[(4-Chloro-3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₈H₁₇ClN₂O₄S
• Molecular Weight: 392.86
• CAS Registry Number: 461415-71-4
• SMILES: Clc2c(cc(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1)cc2C)C
• InChI: 1S/C18H17ClN2O4S/c1-10-6-14(7-11(2)16(10)19)25-9-15(22)21-18(26)20-13-5-3-4-12(8-13)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: IIULJCOTTJZHFO-UHFFFAOYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Refractive index: 1.669 (Cal.)