Compound Identification
SMILES
[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CSC1=CC2=C(SC3=CC=CC=C3C(C2)N2CCN(CCO)CC2)C=C1
InChIKey
InChIKey=XBQUMXBHMXLMBD-SPIKMXEPSA-J
Formula
C29H30N2O9S2
Mass
614.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
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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 Aralkylamines N-alkylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines 1,2-aminoalcohols Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Thiophenol ether - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - 1,2-aminoalcohol - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Thioether - Alkanolamine - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Amine - 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