3-({[(4-Bromophenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 462602-14-8]

Identification

• Name: 3-({[(4-Bromophenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Molecular Formula: C₁₇H₁₅BrN₂O₄S
• Molecular Weight: 423.28
• CAS Registry Number: 462602-14-8
• SMILES: Brc2ccc(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1C)cc2
• InChI: 1S/C17H15BrN2O4S/c1-10-2-3-11(16(22)23)8-14(10)19-17(25)20-15(21)9-24-13-6-4-12(18)5-7-13/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)
• InChIKey: ZXENQIMGNNDWQC-UHFFFAOYSA-N

Properties

• Density: 1.59g/cm³ (Cal.)
• Refractive index: 1.69 (Cal.)