Compound Identification
SMILES
Cl.O=C(CSC1=CC=NC2=CC=CC=C12)C1=CC=C(C=C1)N1CCNCC1
InChIKey
InChIKey=XKQBSOAZDWAJDC-UHFFFAOYSA-N
Formula
C21H22ClN3OS
Mass
399.94
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
Phenylpiperazines N-arylpiperazines Quinolines and derivatives Aniline and substituted anilines Aryl alkyl ketones Dialkylarylamines Benzoyl derivatives Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Quinoline - Benzoyl - Aryl thioether - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Pyridine - Piperazine - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrochloride - Organopnictogen compound - Amine - Hydrocarbon derivative - 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