3,5-Dichloro-2-{[(4-Isopropylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535976-81-9]

Identification

• Name: 3,5-Dichloro-2-{[(4-Isopropylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₈H₁₆Cl₂N₂O₃S
• Molecular Weight: 411.30
• CAS Registry Number: 535976-81-9
• SMILES: Clc2cc(Cl)cc(c2NC(=S)NC(=O)c1ccc(cc1)C(C)C)C(=O)O
• InChI: 1S/C18H16Cl2N2O3S/c1-9(2)10-3-5-11(6-4-10)16(23)22-18(26)21-15-13(17(24)25)7-12(19)8-14(15)20/h3-9H,1-2H3,(H,24,25)(H2,21,22,23,26)
• InChIKey: DHFUQUAHAIIDJD-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Refractive index: 1.676 (Cal.)