Compound Identification
SMILES
OC(=O)C=CC(O)=O.OC(=O)C=CC(O)=O.COCCN1CCN(CC1)C1CC2=C(SC3=CC=CC=C13)C=CC(Cl)=C2
InChIKey
InChIKey=XXWFPYSDOMJTNF-UHFFFAOYSA-N
Formula
C29H33ClN2O9S
Mass
621.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Diarylthioethers N-alkylpiperazines Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Trialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Ether - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Amine - 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