Compound Identification
SMILES
OC(=O)C1=CC(Cl)=CC(Cl)=C1NC(=S)NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PINCAGDOJUWXTG-UHFFFAOYSA-N
Formula
C15H9BrCl2N2O3S
Mass
448.11
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
-
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
Dichlorobenzoic acids 3-halobenzoic acids 4-halobenzoic acids and derivatives Halobenzoic acids Benzoyl derivatives Dichlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous amides Thioureas Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organobromides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - 3,5-dichlorobenzoic acid - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Bromobenzene - Chlorobenzene - Aryl chloride - Aryl bromide - Aryl halide - Vinylogous amide - Thiourea - Carboxylic acid derivative - Carboxylic acid - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen 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