Compound Identification
SMILES
ClC1=CC=CC=C1NC(=S)NC=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=RZCUXUAUWUQNHN-UHFFFAOYSA-N
Formula
C23H17ClN2O2S
Mass
420.91
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
Butyrophenones N-phenylthioureas Benzoyl derivatives Aryl ketones Chlorobenzenes Aryl chlorides Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Enones Acryloyl compounds Thioureas Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Butyrophenone - N-phenylthiourea - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - Ketone - Thiourea - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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