Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.COC1=C2SC3=CC=CC=C3CC(N3CCN(C)CC3)C2=CC(Cl)=C1
InChIKey
InChIKey=OGSUZBCYSZWCJM-BTJKTKAUSA-N
Formula
C24H27ClN2O5S
Mass
491.0
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 Anisoles Alkyl aryl ethers Aralkylamines N-methylpiperazines Unsaturated fatty acids Aryl chlorides Dicarboxylic acids and derivatives Trialkylamines Azacyclic compounds Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Thioether - Ether - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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