(2S)-N-Benzyl-2-[[(1R,2R)-2-[(3,5-Ditert-Butyl-2-Hydroxy-Phenyl)Methyleneamino]Cyclohexyl]Carbamothioylamino]-N,3,3-Trimethyl-Butanamide
[CAS# 479423-24-0]

Identification

• Name: (2S)-N-Benzyl-2-[[(1R,2R)-2-[(3,5-Ditert-Butyl-2-Hydroxy-Phenyl)Methyleneamino]Cyclohexyl]Carbamothioylamino]-N,3,3-Trimethyl-Butanamide
• Synonyms: -2-[[[[ -2-[[[3,5-Bis -2-hydroxyphenyl]methylene]amino]cyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N,3,3-trimethylbutanamide, -2-[[[[ -2-[[[3,5-Bis -2-hydroxyphenyl]methylene]amino]cyclohexyl]amino]thioxo
• Molecular Formula: C₃₆H₅₄N₄O₂S
• Molecular Weight: 606.90
• CAS Registry Number: 479423-24-0
• SMILES: CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C=NC2CCCCC2NC(=S)NC(C(=O)N(C)Cc3ccccc3)C(C)(C)C
• InChI: 1S/C36H54N4O2S/c1-34(2,3)26-20-25(30(41)27(21-26)35(4,5)6)22-37-28-18-14-15-19-29(28)38-33(43)39-31(36(7,8)9)32(42)40(10)23-24-16-12-11-13-17-24/h11-13,16-17,20-22,28-29,31,41H,14-15,18-19,23H2,1-10H3,(H2,38,39,43)/b37-22+/t28-,29-,31-/m1/s1
• InChIKey: IJFFARBIZKKZOA-PVKOWITJSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 690.839°C at 760 mmHg (Cal.)
• Flash point: 371.606°C (Cal.)
• Refractive index: 1.564 (Cal.)