Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(NC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)CC(C)C(O)=O)S2
InChIKey
InChIKey=QSUOJEMDDNRUDJ-UHFFFAOYSA-N
Formula
C25H22N2O4S
Mass
446.52
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
Biphenyls and derivatives Butyrophenones Benzothiazoles Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Biphenyl - Butyrophenone - 1,3-benzothiazole - Anisole - Benzoyl - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Aniline or substituted anilines - Alkyl aryl ether - Benzenoid - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Keto acid - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - 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