| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:02 UTC |
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| Update Date | 2025-03-25 00:54:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18N4S2 |
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| Molecular Mass | 354.0973 |
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| SMILES | NC(=S)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
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| InChI Key | DQVFAUWIEQXLED-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 compoundsbenzenoidsdiarylthioethershydrocarbon derivativesimidolactamsorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compoundsthioureas |
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| Substituents | thioureaazacycleorganic 1,3-dipolar compoundamidineorganosulfur compoundaryl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinepiperazinearomatic heteropolycyclic compoundthioether1,4-diazinaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamdiarylthioether |
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