Compound Identification
SMILES
ClC1=C(NC(=S)NC(=O)C2=C(Cl)C=CC(Br)=C2)C=CC(I)=C1
InChIKey
InChIKey=RSKPBQNDBBOEQQ-UHFFFAOYSA-N
Formula
C14H8BrCl2IN2OS
Mass
530.0
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 Benzoyl derivatives Bromobenzenes Chlorobenzenes Iodobenzenes Aryl bromides Aryl iodides Aryl chlorides Vinylogous halides Thioureas Carboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organoiodides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Iodobenzene - Aryl iodide - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - Thiourea - Carboxylic acid derivative - Organosulfur compound - Organopnictogen compound - Organohalogen compound - Organobromide - Organochloride - Organoiodide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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