3-{[(3-Ethoxybenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
[CAS# 461428-10-4]

Identification

• Name: 3-{[(3-Ethoxybenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
• Synonyms: 3-({[(3-ethoxybenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid
• Molecular Formula: C₁₈H₁₈N₂O₄S
• Molecular Weight: 358.41
• CAS Registry Number: 461428-10-4
• SMILES: O=C(O)c1cc(c(cc1)C)NC(=S)NC(=O)c2cc(OCC)ccc2
• InChI: 1S/C18H18N2O4S/c1-3-24-14-6-4-5-12(9-14)16(21)20-18(25)19-15-10-13(17(22)23)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,22,23)(H2,19,20,21,25)
• InChIKey: MBWTYTKTOFZDPQ-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Refractive index: 1.664 (Cal.)