Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)N1CCN(CC2=CC=CC=C2Cl)CC1
InChIKey
InChIKey=CNORQUWBEYEFBO-UHFFFAOYSA-N
Formula
C27H28Cl2N4OS
Mass
527.51
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 Benzoic acids and derivatives o-Xylenes Benzoyl derivatives Benzylamines Dialkylarylamines Aniline and substituted anilines Phenylmethylamines N-alkylpiperazines Aralkylamines Chlorobenzenes Aryl chlorides Trialkylamines Amino acids and derivatives Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzoic acid or derivatives - Benzoyl - Benzylamine - O-xylene - Xylene - Phenylmethylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Piperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen 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