Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)NCC2=NN=C(SCC(=O)C3=CC=C(Br)C=C3)N2C)C=C1
InChIKey
InChIKey=QABNHGSFZACPBG-UHFFFAOYSA-N
Formula
C23H23BrN4O4S
Mass
531.43
Taxonomic Classification
Taxonomy Tree
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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
Cinnamic acid amides Dimethoxybenzenes Styrenes Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid amide - Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoyl - Styrene - Aryl alkyl ketone - Phenol ether - Anisole - Aryl thioether - Methoxybenzene - Phenoxy compound - Bromobenzene - Alkyl aryl ether - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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