Compound Identification
SMILES
COC1=CC=C(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C3=CC=CC=C3Cl)C=C2)C=C1
InChIKey
InChIKey=NUBXYJQERHCPCA-UHFFFAOYSA-N
Formula
C21H18ClN3O4S2
Mass
475.96
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 2-halobenzoic acids and derivatives Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Benzoyl derivatives Methoxybenzenes Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Organosulfonamides Vinylogous halides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Organosulfonic acid amide - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Vinylogous halide - Thiourea - Carboxylic acid derivative - Ether - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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