4-Chloro-3-{[(3-Isopropoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532420-88-5]

Identification

• Name: 4-Chloro-3-{[(3-Isopropoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 4-chloro-3-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid; 4-chloro-3-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
• Molecular Formula: C₁₈H₁₇ClN₂O₄S
• Molecular Weight: 392.86
• CAS Registry Number: 532420-88-5
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1cccc(OC(C)C)c1)C(=O)O
• InChI: 1S/C18H17ClN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-15-9-12(17(23)24)6-7-14(15)19/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: CBWHMVQVLIPKJB-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Refractive index: 1.664 (Cal.)