Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=C(C=C2)S(C)=O
InChIKey
InChIKey=QSDYCMVSZROZQR-BTJKTKAUSA-N
Formula
C24H28N2O5S2
Mass
488.62
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 Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Trialkylamines Sulfoxides Sulfinyl compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Azacycle - Sulfinyl compound - Carboxylic acid derivative - Thioether - Carboxylic acid - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - 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