Compound Identification
SMILES
ClC1=CC(C(=O)NC(=S)NC2=C(Cl)C=C(Cl)C(=C2)C2=NC3=CC=CC=C3S2)=C(Cl)C=C1
InChIKey
InChIKey=CEQSZUQOBNLIHW-UHFFFAOYSA-N
Formula
C21H11Cl4N3OS2
Mass
527.26
Taxonomic Classification
Taxonomy Tree
-
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
-
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 3-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Thiazoles Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-benzothiazole - 1,3-dichlorobenzene - 1,4-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Vinylogous halide - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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