Compound Identification
SMILES
CCN1CCN(CC1)C1=C(NC(=S)NC(=O)C=CC2=CC=C(O2)C2=CC=C(Cl)C=C2)C=CC=C1Cl
InChIKey
InChIKey=BDPDPCKSAPOWLC-UHFFFAOYSA-N
Formula
C26H26Cl2N4O2S
Mass
529.48
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
Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Dialkylarylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furans Trialkylamines Thioureas Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Heteroaromatic compound - Furan - Thiourea - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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