Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=CC1=CC=CC=C21
InChIKey
InChIKey=ZBWTZWFFFLVXPJ-BTJKTKAUSA-N
Formula
C27H28N2O4S
Mass
476.59
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 Naphthalenes N-methylpiperazines Aralkylamines 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 - Naphthalene - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary aliphatic amine - Tertiary amine - Thioether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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