Compound Identification
SMILES
CCCC(=O)NC1=CC(NC(=S)NC(=O)C2=CC=C(O2)C2=CC=C(Br)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=DCTWZRBRTPPEDO-UHFFFAOYSA-N
Formula
C22H19BrClN3O3S
Mass
520.83
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
Anilides N-arylamides Furoic acid and derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Fatty amides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Anilide - Furoic acid or derivatives - N-arylamide - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Fatty acyl - Aryl bromide - Fatty amide - Aryl chloride - Heteroaromatic compound - Furan - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organopnictogen compound - 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