Compound Identification
SMILES
CCCC(=O)NC1=CC(NC(=S)NC(=O)C2=C(Cl)C3=C(S2)C=C(Cl)C=C3)=CC=C1
InChIKey
InChIKey=PDQIHKIGQVGDGS-UHFFFAOYSA-N
Formula
C20H17Cl2N3O2S2
Mass
466.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
-
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 1-benzothiophenes Thiophene carboxamides N-arylamides Fatty amides Aryl chlorides Vinylogous halides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Benzothiophene - 1-benzothiophene - Anilide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Aryl chloride - Aryl halide - Fatty amide - Fatty acyl - Thiophene - Vinylogous halide - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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