Compound Identification
SMILES
CCC(=O)N1CCN(CC1)C1=C(NC(=S)NC(=O)C2=CC=C(OCC(C)C)C=C2)C=C(Cl)C=C1
InChIKey
InChIKey=WVWHEYMAJWLEJB-UHFFFAOYSA-N
Formula
C25H31ClN4O3S
Mass
503.06
Taxonomic Classification
Taxonomy Tree
-
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 Benzoic acids and derivatives Phenoxy compounds Phenol ethers Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes 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 - Phenylpiperazine - N-arylpiperazine - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Chlorobenzene - Alkyl aryl ether - Halobenzene - 1,4-diazinane - Aryl chloride - Piperazine - Aryl halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thiourea - Tertiary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen 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