Compound Identification
SMILES
CC1=C(OCC(=O)NC(=S)NC2=C(Br)C=C(Br)C=C2C(O)=O)C=CC(Cl)=C1
InChIKey
InChIKey=PZYQPBBLUZLDBI-UHFFFAOYSA-N
Formula
C17H13Br2ClN2O4S
Mass
536.62
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
3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Bromobenzenes Toluenes Alkyl aryl ethers Aryl chlorides Aryl bromides Vinylogous amides Thioureas Carboxylic acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Aryl bromide - Vinylogous amide - Thiourea - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organobromide - Organochloride - 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