Compound Identification
SMILES
O.[O-]C(=O)\C=C/C([O-])=O.CC(C)CSC1=CC2=C(SC3=CC=CC=C3C=C2N2CCN(C)CC2)C=C1
InChIKey
InChIKey=UOLIREOMCDNLFG-FJOGWHKWSA-L
Formula
C27H32N2O5S2
Mass
528.68
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 Thiophenol ethers Alkylarylthioethers N-methylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Thiophenol ether - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Thioether - Azacycle - Enamine - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic anion - 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