Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1=CC2=CC=CC=C2SC2=CC(F)=C(Cl)C=C12
InChIKey
InChIKey=FEAUXNFCJVPVAW-BTJKTKAUSA-N
Formula
C23H22ClFN2O4S
Mass
476.95
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-methylpiperazines Unsaturated fatty acids Aryl chlorides Aryl fluorides Benzenoids Dicarboxylic acids and derivatives Trialkylamines Azacyclic compounds Enamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Enamine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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