Compound Identification
SMILES
O=C(CSC1=CC=NC2=CC=CC=C12)C1=CC=C(C=C1)N1CCNCC1
InChIKey
InChIKey=LCCOJSSYFWZMFL-UHFFFAOYSA-N
Formula
C21H21N3OS
Mass
363.48
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
N-arylpiperazines Phenylpiperazines Quinolines and derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Dialkylamines Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Phenylpiperazine - Quinoline - Tertiary aliphatic/aromatic amine - Aryl thioether - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Alkylarylthioether - Pyridine - Benzenoid - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary amine - Thioether - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - 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