Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.OCCCCN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=QGHSOJWNHIIINM-BTJKTKAUSA-N
Formula
C26H31ClN2O5S
Mass
519.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
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 Aralkylamines N-alkylpiperazines Unsaturated fatty acids Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Trialkylamines Azacyclic compounds Carboxylic acids Alkanolamines Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Thioether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - Carbonyl group - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - 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