3-{[(4-Biphenylylcarbonyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
[CAS# 531520-40-8]

Identification

• Name: 3-{[(4-Biphenylylcarbonyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
• Synonyms: 3-({[(4-biphenylylcarbonyl)amino]carbonothioyl}amino)-4-chlorobenzoic acid; 3-{[(biphenyl-4-ylcarbonyl)carbamothioyl]amino}-4-chlorobenzoic acid
• Molecular Formula: C₂₁H₁₅ClN₂O₃S
• Molecular Weight: 410.87
• CAS Registry Number: 531520-40-8
• SMILES: Clc3ccc(cc3NC(=S)NC(=O)c2ccc(c1ccccc1)cc2)C(=O)O
• InChI: 1S/C21H15ClN2O3S/c22-17-11-10-16(20(26)27)12-18(17)23-21(28)24-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,26,27)(H2,23,24,25,28)
• InChIKey: IFNFHFUCKZBJSV-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Refractive index: 1.711 (Cal.)