3-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
[CAS# 461411-57-4]

Identification

• Name: 3-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
• Synonyms: 3-({[(3-bromo-4-ethoxybenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid; 3-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
• Molecular Formula: C₁₈H₁₇BrN₂O₄S
• Molecular Weight: 437.31
• CAS Registry Number: 461411-57-4
• SMILES: Brc1cc(ccc1OCC)C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C
• InChI: 1S/C18H17BrN2O4S/c1-3-25-15-7-6-11(8-13(15)19)16(22)21-18(26)20-14-9-12(17(23)24)5-4-10(14)2/h4-9H,3H2,1-2H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: WFIKDGALMZRONE-UHFFFAOYSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Refractive index: 1.678 (Cal.)