Compound Identification
SMILES
CCCCCCCCCC(=O)OCCN1CCN(CC1)C1CC2=C(SC3=C1C=C(Cl)C=C3)C=C(F)C=C2
InChIKey
InChIKey=CBAGYBMHYIDUSY-UHFFFAOYSA-N
Formula
C30H40ClFN2O2S
Mass
547.17
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 Aralkylamines Fatty acid esters N-alkylpiperazines Aryl chlorides Benzenoids Aryl fluorides Amino acids and derivatives Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - Fatty acid ester - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Fatty acyl - Benzenoid - Piperazine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Thioether - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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