Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1
InChIKey
InChIKey=YQGAXKUYSYRSQL-UHFFFAOYSA-N
Formula
C18H14ClN5O3S2
Mass
447.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
2-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyrimidines and pyrimidine derivatives Organosulfonamides Vinylogous halides Aminosulfonyl compounds Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organochlorides Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous halide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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