| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:50 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112359 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C18H19N5S |
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| Molecular Mass | 337.1361 |
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| SMILES | N=C(N)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
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| InChI Key | ULFYDWIXHXIEEJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzothiazepines |
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| Subclass | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundsbenzenoidscarboximidamidesdiarylthioethersguanidineshydrocarbon derivativesimidolactamsiminesorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleguanidineimineorganic 1,3-dipolar compoundamidinecarboximidamidearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinepiperazinearomatic heteropolycyclic compoundthioether1,4-diazinaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamdiarylthioether |
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