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CHEBI:143827 - 1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea

ChEBI IDCHEBI:143827
ChEBI Name1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea
Stars
DefinitionA member of the class of 1,3-benzoxazoles that is 5-methyl-2-phenyl-1,3-benzoxazole which is substituted by a [(4-chlorophenyl)carbamothioyl]nitrilo group at position 5. It is a bacterial glutamate racemase inhibitor.
Last Modified3 June 2019
SubmitterCeri
DownloadsMolfile
FormulaC21H16ClN3OS
Net Charge0
Average Mass393.899
Monoisotopic Mass393.07026
SMILESCc1ccc2oc(-c3cccc(NC(=S)Nc4ccc(Cl)cc4)c3)nc2c1
InChIInChI=1S/C21H16ClN3OS/c1-13-5-10-19-18(11-13)25-20(26-19)14-3-2-4-17(12-14)24-21(27)23-16-8-6-15(22)7-9-16/h2-12H,1H3,(H2,23,24,27)
InChIKeyZMSAGNFQKUNPME-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 5.1.1.* (racemases acting on amino acids and derivatives) inhibitor  An EC 5.1.* (racemase/epimerase) inhibitor that interferes with the function of any racemase acting on amino acids or their derivatives (EC 5.1.1.*).
ChEBI Ontology
Outgoing Relation(s)
1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea (CHEBI:143827) has role EC 5.1.1.* (racemases acting on amino acids and derivatives) inhibitor (CHEBI:76828)
1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea (CHEBI:143827) is a 1,3-benzoxazoles (CHEBI:51548)
1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea (CHEBI:143827) is a monochlorobenzenes (CHEBI:83403)
1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea (CHEBI:143827) is a thioureas (CHEBI:51276)
IUPAC Names 
1-(4-chlorophenyl)-3-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea
N-(4-chlorophenyl)-N'-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiourea
Synonym  Source
1-(4-chlorophenyl)-3-(3-(5-methylbenzo[d]oxazol-2-yl)phenyl)thioureaChEBI
Citations