4-[({[(4-methoxyphenoxy)acetyl]amino}carbothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
Basic information
- CAS
649565-91-3- Standard SMILES
COc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1- InChIKey
PXFLOTDQJANDPH-UHFFFAOYSA-N- Molecular formula
- C20H20N4O6S2
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- 4-[({[(4-methoxyphenoxy)acetyl]amino}carbothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
- IUPAC
- 2-(4-methoxyphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
- English name
- 2-(4-methoxyphenoxy)-N-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]carbonothioyl}acetamide
- Molecular formula
- C20H20N4O6S2
- Molecular weight
- 476.53
Names & synonyms
649565-91-32-(4-methoxyphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]acetamide1-[2-(4-METHOXYPHENOXY)ACETYL]-3-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}THIOUREA4-[({[(4-methoxyphenoxy)acetyl]amino}carbothioyl)amino]-N-(5-methyl-3-isoxazolyl)benzenesulfonamideF1618-04372-(4-methoxyphenoxy)-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)acetamideMLS001125429CHEMBL1721235HMS2976F23SMSSF-0041841STK121310AKOS000495575
Show more names
2-(4-methoxyphenoxy)-N-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]carbonothioyl}acetamideAcetamide, 2-(4-methoxyphenoxy)-N-[[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-
2-(4-methoxyphenoxy)-N-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)carbamothioyl)acetamideSMR000665962AN-329/41770247p-{3-[2-(p-methoxyphenoxy)acetyl]thioureido}phenyl(5-methyl-3-isoxazolylamino)(oxo)-lambda-sulfaniumolate
Database identifiers
- CAS
649565-91-3- ChEMBL
CHEMBL1721235
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
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Compound notes
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