Compound Identification
SMILES
O.OC(=O)C=CC(O)=O.COC1=C(OC)C=C2C(CC3=CC=CC=C3SC2=C1)N1CCN(C)CC1
InChIKey
InChIKey=ZLNSPFJBKLZUQO-UHFFFAOYSA-N
Formula
C25H32N2O7S
Mass
504.6
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 N-methylpiperazines Aralkylamines Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Fatty acyl - Benzenoid - Fatty acid - Tertiary amine - Tertiary aliphatic amine - Ether - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - 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