3-{[(Diphenylacetyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
[CAS# 433695-07-9]

Identification

• Name: 3-{[(Diphenylacetyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
• Synonyms: 3-({[(diphenylacetyl)amino]carbonothioyl}amino)-4-methylbenzoic acid; 3-{[(diphenylacetyl)carbamothioyl]amino}-4-methylbenzoic acid
• Molecular Formula: C₂₃H₂₀N₂O₃S
• Molecular Weight: 404.48
• CAS Registry Number: 433695-07-9
• SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
• InChI: 1S/C23H20N2O3S/c1-15-12-13-18(22(27)28)14-19(15)24-23(29)25-21(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,27,28)(H2,24,25,26,29)
• InChIKey: VLDWGCXFGSTSMO-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Refractive index: 1.687 (Cal.)