Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC(=S)NC1=CC(Br)=C(O)C(Br)=C1
InChIKey
InChIKey=NUCCLYPUGLYUSI-UHFFFAOYSA-N
Formula
C15H11Br2ClN2O3S
Mass
494.58
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 and derivatives Phenoxy compounds Anisoles O-bromophenols Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Thioureas Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Anisole - 2-bromophenol - 2-halophenol - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phenol - Bromobenzene - Aryl bromide - Aryl halide - Aryl chloride - Thiourea - Ether - Carboxylic acid derivative - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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