3-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 462602-17-1]

Identification

• Name: 3-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₉H₂₀N₂O₄S
• Molecular Weight: 372.44
• CAS Registry Number: 462602-17-1
• SMILES: O=C(O)c1cc(ccc1)NC(=S)NC(=O)c2ccc(OCC(C)C)cc2
• InChI: 1S/C19H20N2O4S/c1-12(2)11-25-16-8-6-13(7-9-16)17(22)21-19(26)20-15-5-3-4-14(10-15)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: TXIWMAVKMXZGQF-UHFFFAOYSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Refractive index: 1.649 (Cal.)