4-({[3-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 530137-66-7]

Identification

• Name: 4-({[3-(Phenoxymethyl)Benzoyl]Carbamothioyl}Amino)Benzoic Acid
• Synonyms: 4-[({[3-(phenoxymethyl)benzoyl]amino}carbonothioyl)amino]benzoic acid; 4-[({[3-(phenoxymethyl)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
• Molecular Formula: C₂₂H₁₈N₂O₄S
• Molecular Weight: 406.45
• CAS Registry Number: 530137-66-7
• SMILES: C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O
• InChI: 1S/C22H18N2O4S/c25-20(24-22(29)23-18-11-9-16(10-12-18)21(26)27)17-6-4-5-15(13-17)14-28-19-7-2-1-3-8-19/h1-13H,14H2,(H,26,27)(H2,23,24,25,29)
• InChIKey: BUAMTDHTXZNPGL-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.701 (Cal.)