Compound Identification
SMILES
OC(=O)C=CC(O)=O.CSC1=CC2=C(SC3=CC=CC=C3CC2N2CCN(CCC3OCCO3)CC2)C=C1
InChIKey
InChIKey=ZSQWMPLVTMLDGB-UHFFFAOYSA-N
Formula
C28H34N2O6S2
Mass
558.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Diarylthioethers Thiophenol ethers Alkylarylthioethers Aralkylamines N-alkylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives 1,3-dioxolanes Trialkylamines Sulfenyl compounds Acetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Thiophenol ether - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Thioether - Oxacycle - Acetal - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available