4-({[5-(3-Nitrophenyl)-2-Furoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 530132-21-9]

Identification

• Name: 4-({[5-(3-Nitrophenyl)-2-Furoyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₉H₁₃N₃O₆S
• Molecular Weight: 411.39
• CAS Registry Number: 530132-21-9
• SMILES: O=C(c2oc(c1cc([N+]([O-])=O)ccc1)cc2)NC(=S)Nc3ccc(C(=O)O)cc3
• InChI: 1S/C19H13N3O6S/c23-17(21-19(29)20-13-6-4-11(5-7-13)18(24)25)16-9-8-15(28-16)12-2-1-3-14(10-12)22(26)27/h1-10H,(H,24,25)(H2,20,21,23,29)
• InChIKey: PZMFJVKLQFELFB-UHFFFAOYSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Refractive index: 1.717 (Cal.)