4-Chloro-3-({[3-(4-Isopropylphenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532417-76-8]

Identification

• Name: 4-Chloro-3-({[3-(4-Isopropylphenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₂₀H₁₉ClN₂O₃S
• Molecular Weight: 402.89
• CAS Registry Number: 532417-76-8
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)C=Cc1ccc(cc1)C(C)C)C(=O)O
• InChI: 1S/C20H19ClN2O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)23-20(27)22-17-11-15(19(25)26)8-9-16(17)21/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)
• InChIKey: ZILMERDJHZAQJS-UHFFFAOYSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Refractive index: 1.687 (Cal.)