Compound Identification
SMILES
BrC1=CC=CC=C1C(CC(=O)C1=CC=CC=C1)C1C(=O)NC(=S)NC1=O
InChIKey
InChIKey=IGRVLWMRBTYOSB-UHFFFAOYSA-N
Formula
C19H15BrN2O3S
Mass
431.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Thiobarbituric acid derivatives Aryl alkyl ketones Benzoyl derivatives Bromobenzenes 1,3-dicarbonyl compounds Aryl bromides Diazinanes Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Thiobarbiturate - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Aryl halide - 1,3-dicarbonyl compound - Aryl bromide - Monocyclic benzene moiety - 1,3-diazinane - Ketone - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available