Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=KBXKFNQZALDELE-UHFFFAOYSA-N
Formula
C25H22BrClN4O2S
Mass
557.89
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 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Organobromides Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl bromide - Piperazine - 1,4-diazinane - Aryl chloride - Tertiary carboxylic acid amide - Vinylogous halide - Amino acid or derivatives - Thiourea - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - 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