4-Methyl-3-({[4-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532982-25-5]

Identification

• Name: 4-Methyl-3-({[4-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
• Synonyms: 4-methyl-3-[({[4-(phenoxymethyl)benzoyl]amino}carbonothioyl)amino]benzoic acid
• Molecular Formula: C₂₃H₂₀N₂O₄S
• Molecular Weight: 420.48
• CAS Registry Number: 532982-25-5
• SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3
• InChI: 1S/C23H20N2O4S/c1-15-7-10-18(22(27)28)13-20(15)24-23(30)25-21(26)17-11-8-16(9-12-17)14-29-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,30)
• InChIKey: NRIZWODFSQNDOD-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Refractive index: 1.69 (Cal.)