3-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
[CAS# 461414-16-4]

Identification

• Name: 3-{[(4-Isobutoxybenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
• Molecular Formula: C₂₀H₂₂N₂O₄S
• Molecular Weight: 386.46
• CAS Registry Number: 461414-16-4
• SMILES: O=C(O)c1cc(c(cc1)C)NC(=S)NC(=O)c2ccc(OCC(C)C)cc2
• InChI: 1S/C20H22N2O4S/c1-12(2)11-26-16-8-6-14(7-9-16)18(23)22-20(27)21-17-10-15(19(24)25)5-4-13(17)3/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: JAHOFJCVSMMBAQ-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Refractive index: 1.641 (Cal.)