Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=S)NC(=O)C=CC2=CC=C(O2)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=HBLUTTWNLKYNAO-UHFFFAOYSA-N
Formula
C22H17ClN2O3S
Mass
424.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Alkyl-phenylketones Acetophenones Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Furans Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-phenylthiourea - Acetophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Thiourea - Ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Aldehyde - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available