Compound Identification
SMILES
OC(=O)C(O)=O.CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C1=CC=CC=C1CC2N1CCN(CCCO)CC1
InChIKey
InChIKey=LEFNTMCGABNCMO-UHFFFAOYSA-N
Formula
C24H30N2O8S2
Mass
538.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
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-alkylpiperazines Aralkylamines Dicarboxylic acids and derivatives Benzenoids Sulfones 1,3-aminoalcohols Trialkylamines Sulfoxides Sulfinyl compounds Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - 1,3-aminoalcohol - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Sulfinyl compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Primary alcohol - 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