3,5-Dichloro-2-{[(3-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535943-21-6]

Identification

• Name: 3,5-Dichloro-2-{[(3-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₉H₁₈Cl₂N₂O₄S
• Molecular Weight: 441.33
• CAS Registry Number: 535943-21-6
• SMILES: Clc2cc(Cl)cc(c2NC(=S)NC(=O)c1cccc(OCC(C)C)c1)C(=O)O
• InChI: 1S/C19H18Cl2N2O4S/c1-10(2)9-27-13-5-3-4-11(6-13)17(24)23-19(28)22-16-14(18(25)26)7-12(20)8-15(16)21/h3-8,10H,9H2,1-2H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: AJCKUBUMNCYYFV-UHFFFAOYSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Refractive index: 1.657 (Cal.)