Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CN1CCN(CC1)C1=CC2=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1CS2
InChIKey
InChIKey=KHOVIDFLDPENDN-WLHGVMLRSA-N
Formula
C29H30N2O4S
Mass
502.63
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-arylpiperazines Dialkylarylamines N-methylpiperazines Alkylarylthioethers Unsaturated fatty acids Dicarboxylic acids and derivatives Benzene and substituted derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aryl thioether - Dialkylarylamine - Alkylarylthioether - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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