Compound Identification
SMILES
OC(=O)CCC(O)=O.OCCN1CCN(CCSC2CC3=C(SC4=CC=CC=C24)C=CC(Cl)=C3)CC1
InChIKey
InChIKey=MHJKEBDNVRKRLH-UHFFFAOYSA-N
Formula
C26H33ClN2O5S2
Mass
553.13
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 Aryl chlorides Benzenoids Fatty acids and conjugates Dicarboxylic acids and derivatives Trialkylamines 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Fatty acid - Dicarboxylic acid or derivatives - Benzenoid - Piperazine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary alcohol - Organic oxide - 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