Compound Identification
SMILES
CC(C)C1=C(OC(=O)NC2C3=CC=CC=C3CSC3=CC=CC=C23)C=C(C)C=C1
InChIKey
InChIKey=QYLDDBZUCOTNEP-UHFFFAOYSA-N
Formula
C25H25NO2S
Mass
403.54
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
Aromatic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Toluenes Alkylarylthioethers Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Aryl thioether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Thioether - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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