Compound Identification
SMILES
Br.COC1=C(OC)C=C(C=C1)C(=O)CN(C1=NCCCS1)C1=CC=C(C)C=C1
InChIKey
InChIKey=CLKXIFYVVNRDSW-UHFFFAOYSA-N
Formula
C21H25BrN2O3S
Mass
465.41
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
Dimethoxybenzenes Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Toluenes Alkyl aryl ethers 1,3-thiazines Isothioureas Tertiary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Hydrobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Aryl alkyl ketone - Benzoyl - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - Toluene - Alkyl aryl ether - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Isothiourea - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrobromide - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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