Compound Identification
SMILES
CCCC(=O)C1=CC2=C(SCC(=O)N2)C=C1
InChIKey
InChIKey=RCFNQDXJZXLHER-UHFFFAOYSA-N
Formula
C12H13NO2S
Mass
235.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Benzothiazines Aryl alkyl ketones Alkylarylthioethers 1,4-thiazines Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Benzothiazine - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Para-thiazine - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available