Compound Identification
SMILES
ClC1=CC=CC(C2=CC=C(O2)C(=O)NC(=S)NC2=CC=C(C=C2)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C1Cl
InChIKey
InChIKey=PGHZTUJZDPEBBS-UHFFFAOYSA-N
Formula
C29H24Cl2N4O3S
Mass
579.5
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
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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 Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Dichlorobenzenes Furoic acid and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Thioureas Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzamide - Benzoic acid or derivatives - Furoic acid or derivatives - 1,2-dichlorobenzene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Piperazine - Aryl halide - 1,4-diazinane - Aryl chloride - Tertiary carboxylic acid amide - Heteroaromatic compound - Furan - Tertiary amine - Carboxamide group - Amino acid or derivatives - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - 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