3-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
[CAS# 532949-67-0]

Identification

• Name: 3-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
• Molecular Formula: C₁₉H₁₉ClN₂O₄S
• Molecular Weight: 406.88
• CAS Registry Number: 532949-67-0
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1ccc(OC(C)CC)cc1)C(=O)O
• InChI: 1S/C19H19ClN2O4S/c1-3-11(2)26-14-7-4-12(5-8-14)17(23)22-19(27)21-16-10-13(18(24)25)6-9-15(16)20/h4-11H,3H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: OSXUMFGODMCYRA-UHFFFAOYSA-N

Properties

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