Compound Identification
SMILES
CC1=CC(OCC(=O)NC(=S)NC2=CC(Cl)=C(O)C(Cl)=C2)=CC(C)=C1
InChIKey
InChIKey=BLFRLIKKJBTFCB-UHFFFAOYSA-N
Formula
C17H16Cl2N2O3S
Mass
399.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
m-Xylenes Phenoxy compounds Phenol ethers O-chlorophenols Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Thioureas Carboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenoxy compound - 2-chlorophenol - 2-halophenol - M-xylene - Xylene - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phenol - Aryl halide - Aryl chloride - Thiourea - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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