5-Chloro-2-{[(3,4-Dimethylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 536987-28-7]

Identification

• Name: 5-Chloro-2-{[(3,4-Dimethylbenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 5-chloro-2-({[(3,4-dimethylbenzoyl)amino]carbonothioyl}amino)benzoic acid; 5-chloro-2-({[(3,4-dimethylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₇H₁₅ClN₂O₃S
• Molecular Weight: 362.83
• CAS Registry Number: 536987-28-7
• SMILES: Clc2cc(c(NC(=S)NC(=O)c1ccc(c(c1)C)C)cc2)C(=O)O
• InChI: 1S/C17H15ClN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-14-6-5-12(18)8-13(14)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)
• InChIKey: JPVOEMZKWLDLDA-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Refractive index: 1.691 (Cal.)