Compound Identification
SMILES
CCN1CCN(CC1)C1=C(Cl)C=C(NC(=S)NC(=O)C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1
InChIKey
InChIKey=CPCRUJLSOCPSSQ-UHFFFAOYSA-N
Formula
C21H23Cl3N4O2S
Mass
501.85
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
N-arylpiperazines Phenylpiperazines 3-halobenzoic acids and derivatives Aniline and substituted anilines Anisoles Benzoyl derivatives Dialkylarylamines Dichlorobenzenes Methoxybenzenes Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Aryl chlorides Amino acids and derivatives Trialkylamines Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-alkylpiperazine - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Piperazine - Aryl halide - 1,4-diazinane - Thiourea - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen 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