Compound Identification
SMILES
CCC(=O)N1CCN(CC1)C1=C(NC(=S)NC(=O)COC2=CC=CC=C2C)C=C(Cl)C=C1
InChIKey
InChIKey=DXLQMWKCLFMKOJ-UHFFFAOYSA-N
Formula
C23H27ClN4O3S
Mass
475.0
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 Aniline and substituted anilines Dialkylarylamines Phenol ethers Phenoxy compounds Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Amino acids and derivatives Thioureas Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Piperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary carboxylic acid amide - Tertiary amine - Thiourea - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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