Compound Identification
SMILES
ClC1=CC(Cl)=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N2CCCCCC2)C=C1
InChIKey
InChIKey=ZLWUDFWZVFHBFQ-UHFFFAOYSA-N
Formula
C21H23Cl2N3O4S2
Mass
516.45
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
Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Azepanes Aryl chlorides Organosulfonamides Sulfonyls Thioureas Carboxylic acids and derivatives Azacyclic compounds Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Azepane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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