Compound Identification
SMILES
ClC1=CC=CC=C1CN1CCN(CC1)C1=C(Cl)C=C(NC(=S)NC(=O)C2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=FILIONPLTVMRIV-UHFFFAOYSA-N
Formula
C25H23BrCl2N4OS
Mass
578.35
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
Phenylpiperazines N-arylpiperazines 3-halobenzoic acids and derivatives Aniline and substituted anilines Phenylmethylamines Benzoyl derivatives Benzylamines Dialkylarylamines Aralkylamines Bromobenzenes N-alkylpiperazines Chlorobenzenes Aryl bromides Aryl chlorides Amino acids and derivatives Trialkylamines Thioureas Azacyclic compounds Organobromides Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Benzoyl - Dialkylarylamine - Halobenzene - N-alkylpiperazine - Chlorobenzene - Bromobenzene - Aralkylamine - Aryl chloride - 1,4-diazinane - Piperazine - Aryl bromide - Aryl halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organobromide - 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