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4-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532389-58-5]

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CAS#: 532389-58-5
Product: 4-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
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Identification
Name 4-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
Molecular Structure CAS#: 532389-58-5, 4-({[(2-Isopropyl-5-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
Molecular Formula C20H22N2O4S
Molecular Weight 386.46
CAS Registry Number 532389-58-5
SMILES O=C(O)c1ccc(cc1)NC(=S)NC(=O)COc2cc(ccc2C(C)C)C
InChI 1S/C20H22N2O4S/c1-12(2)16-9-4-13(3)10-17(16)26-11-18(23)22-20(27)21-15-7-5-14(6-8-15)19(24)25/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
InChIKey PLXOUVIDZPEUFD-UHFFFAOYSA-N
Properties
Density 1.288g/cm3 (Cal.)
Refractive index 1.641 (Cal.)
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