Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CCC1=CC2=C(SC3=CC=CC=C3CC2N2CCNCC2)C=C1
InChIKey
InChIKey=WXZIBQGLAPGSBC-BTJKTKAUSA-N
Formula
C24H28N2O4S
Mass
440.56
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 Trialkylamines Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Thioether - Secondary amine - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carbonyl group - Organic nitrogen compound - 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