Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.C[N+]1(CCNCC1)C1CC2=CC=CC=C2SC2=C1C=CC1=CC=CC=C21
InChIKey
InChIKey=PODCPJWPLSURFI-BTJKTKAUSA-N
Formula
C27H29N2O4S
Mass
477.6
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 Naphthalenes N-methylpiperazines Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Tetraalkylammonium salts Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
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 acid - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary aliphatic amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic cation - 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