3-({[(4-Chloro-3-Methylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 461397-53-5]

Identification

• Name: 3-({[(4-Chloro-3-Methylphenoxy)Acetyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Molecular Formula: C₁₈H₁₇ClN₂O₄S
• Molecular Weight: 392.86
• CAS Registry Number: 461397-53-5
• SMILES: Clc2ccc(OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1C)cc2C
• InChI: 1S/C18H17ClN2O4S/c1-10-3-4-12(17(23)24)8-15(10)20-18(26)21-16(22)9-25-13-5-6-14(19)11(2)7-13/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: VRLQATVFRLOYDI-UHFFFAOYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Refractive index: 1.669 (Cal.)