Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C=CC2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=GUSIPJUETVQJSR-UHFFFAOYSA-N
Formula
C27H23Cl3N4O2S
Mass
573.92
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
Phenylpiperazines N-arylpiperazines Cinnamic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Styrenes Aniline and substituted anilines Dichlorobenzenes Dialkylarylamines Benzoyl derivatives Aryl chlorides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Phenylpiperazine - N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - 1,3-dichlorobenzene - Tertiary aliphatic/aromatic amine - Styrene - Benzoyl - Dialkylarylamine - Halobenzene - Chlorobenzene - Aryl halide - 1,4-diazinane - Piperazine - Aryl chloride - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Thiourea - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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