Compound Identification
SMILES
CN1CCN(CC1)C1=CC=CC=C1NC(=S)NC(=O)C1=C(Cl)C=CC(Br)=C1
InChIKey
InChIKey=QQFIZRSNQGAMLF-UHFFFAOYSA-N
Formula
C19H20BrClN4OS
Mass
467.81
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
N-arylpiperazines Phenylpiperazines 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines Bromobenzenes Chlorobenzenes N-methylpiperazines Aryl bromides Aryl chlorides Vinylogous halides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Chlorobenzene - Halobenzene - N-alkylpiperazine - N-methylpiperazine - Piperazine - Aryl chloride - Aryl bromide - Aryl halide - 1,4-diazinane - Vinylogous halide - Thiourea - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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