Compound Identification
SMILES
COC1=CC=C(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)COC3=C(Br)C=C(Br)C=C3C)C=C2)C=C1
InChIKey
InChIKey=NNIRIQAXPQOSNY-UHFFFAOYSA-N
Formula
C23H21Br2N3O5S2
Mass
643.37
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
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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
Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Methoxyanilines Methoxybenzenes Anisoles Phenoxy compounds Bromobenzenes Alkyl aryl ethers Toluenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Ether - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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