4-Chloro-3-{[(4-Ethoxy-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535956-92-4]

Identification

• Name: 4-Chloro-3-{[(4-Ethoxy-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 4-chloro-3-({[(4-ethoxy-3-nitrobenzoyl)amino]carbonothioyl}amino)benzoic acid; 4-chloro-3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₇H₁₄ClN₃O₆S
• Molecular Weight: 423.83
• CAS Registry Number: 535956-92-4
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1ccc(OCC)c([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C17H14ClN3O6S/c1-2-27-14-6-4-9(8-13(14)21(25)26)15(22)20-17(28)19-12-7-10(16(23)24)3-5-11(12)18/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)
• InChIKey: ASYDURBGMMFOPS-UHFFFAOYSA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Refractive index: 1.696 (Cal.)