Compound Identification
SMILES
OC(=O)C=CC(O)=O.CN1CCN(CC1)C(=O)CSC1C2=CC=CC=C2CSC2=CC=CC=C12
InChIKey
InChIKey=KBUZACUMEDPBJX-UHFFFAOYSA-N
Formula
C25H28N2O5S2
Mass
500.63
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
N-methylpiperazines Alkylarylthioethers Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - 1,4-diazinane - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Unsaturated fatty acid - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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