| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:47 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157534 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClN2O3S |
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| Molecular Mass | 288.0335 |
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| SMILES | O=C(O)CN(CCO)C(S)=Nc1ccc(Cl)cc1 |
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| InChI Key | SQZGHKDUNPOGJX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | n-phenylthioureas |
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| Direct Parent | n-phenylthioureas |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesalpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidn-phenylthioureaorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminearyl chloridechlorobenzenealcoholaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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