4-({[(3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532979-46-7]

Identification

• Name: 4-({[(3,5-Dimethylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Synonyms: 4-({[(3,5-dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid; 4-[({[(3,5-dimethylphenoxy)acetyl]amino}carbonothioyl)amino]benzoic acid
• Molecular Formula: C₁₈H₁₈N₂O₄S
• Molecular Weight: 358.41
• CAS Registry Number: 532979-46-7
• SMILES: O=C(O)c1ccc(cc1)NC(=S)NC(=O)COc2cc(cc(c2)C)C
• InChI: 1S/C18H18N2O4S/c1-11-7-12(2)9-15(8-11)24-10-16(21)20-18(25)19-14-5-3-13(4-6-14)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)
• InChIKey: FPJOVUQOSACWAE-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Refractive index: 1.665 (Cal.)