Compound Identification
SMILES
CCO.CCOC(=O)C1=C(C)NC2=C(C1C1=CC=C(C=C1)C(=O)OC)C(N)=C(S2)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=SDELHLIUNYDVEC-UHFFFAOYSA-N
Formula
C28H29BrN2O6S
Mass
601.51
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 Aryl-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
Aryl-phenylketones
Alternative Parents
Benzoic acid esters Thienopyridines 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Enamines Hydrocarbon derivatives Organic oxides Organobromides Primary alcohols Primary amines
Molecular Framework
Not available
Substituents
Aryl-phenylketone - Benzoate ester - Benzoic acid or derivatives - 3,4,5-trisubstituted-2-aminothiophene - Thienopyridine - Benzoyl - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aminothiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enamine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organobromide - Organonitrogen compound - Organohalogen compound - Amine - Primary amine - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available