Compound Identification
SMILES
ClC1=CC=CC(Cl)=C1CC(=O)NC(=S)NC1=CC=C(C=C1)C#N
InChIKey
InChIKey=ZQAFQEKFBGVAIR-UHFFFAOYSA-N
Formula
C16H11Cl2N3OS
Mass
364.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Phenylacetamides Dichlorobenzenes Benzonitriles Aryl chlorides Thioureas Nitriles Carboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylacetamide - Benzonitrile - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Thiourea - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Cyanide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic 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