4-Chloro-3-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531541-86-3]

Identification

• Name: 4-Chloro-3-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₉H₁₉ClN₂O₄S
• Molecular Weight: 406.88
• CAS Registry Number: 531541-86-3
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1ccc(OCC(C)C)cc1)C(=O)O
• InChI: 1S/C19H19ClN2O4S/c1-11(2)10-26-14-6-3-12(4-7-14)17(23)22-19(27)21-16-9-13(18(24)25)5-8-15(16)20/h3-9,11H,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: MRVYWBFXCWPJSE-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Refractive index: 1.653 (Cal.)