Compound Identification
SMILES
OC(=O)C(O)=O.CN(C)CCCC1C2=CC=CC=C2SC(C2=CC=CC=C2)C2=CC=CC=C12
InChIKey
InChIKey=NBNCDCYBOFJKDK-UHFFFAOYSA-N
Formula
C27H29NO4S
Mass
463.59
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
Aralkylamines Alkylarylthioethers Dicarboxylic acids and derivatives Benzene and substituted derivatives Trialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aryl thioether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Thioether - Carboxylic acid - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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