Compound Identification
SMILES
CC(=O)C1=C(OCC2CN(CCO2)C(=O)CSC2=NC3=CC=CC=C3S2)C=CC(Cl)=C1
InChIKey
InChIKey=YQKSUPOBULCPTE-UHFFFAOYSA-N
Formula
C22H21ClN2O4S2
Mass
476.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Acetophenones Benzothiazoles Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Morpholines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - 1,3-benzothiazole - Phenoxy compound - Aryl thioether - Phenol ether - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Morpholine - Aryl chloride - Oxazinane - Aryl halide - Benzenoid - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available