Compound Identification
SMILES
COC1=CC=CC=C1C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)N1CCN(CC1)C(=O)C(C)C
InChIKey
InChIKey=KXTBNAQLKCLLHM-UHFFFAOYSA-N
Formula
C23H27ClN4O3S
Mass
475.0
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 Methoxybenzenes Aniline and substituted anilines Dialkylarylamines Anisoles 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 - N-arylpiperazine - Phenylpiperazine - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Aryl halide - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen 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