Compound Identification
SMILES
CC1=C(OCC(=O)NC(=S)NC2=CC=C(NC3=CC=CC=C3)C=C2)C=CC(Cl)=C1
InChIKey
InChIKey=LKWBKDPTPZMOOQ-UHFFFAOYSA-N
Formula
C22H20ClN3O2S
Mass
425.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Phenoxy compounds Phenol ethers Aniline and substituted anilines Toluenes Chlorobenzenes Alkyl aryl ethers Primary aromatic amines Aryl chlorides Thioureas Amino acids and derivatives Secondary amines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Amino acid or derivatives - Thiourea - Carboxylic acid derivative - Secondary amine - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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