Compound Identification
SMILES
CC1=C(NC(=S)NC(=O)C2=C(Cl)C3=C(S2)C=C(Cl)C=C3)C=C(C=C1)C(O)=O
InChIKey
InChIKey=XETRSTYESXLXIT-UHFFFAOYSA-N
Formula
C18H12Cl2N2O3S2
Mass
439.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Benzoic acids 1-benzothiophenes Thiophene carboxamides Benzoyl derivatives Toluenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Thioureas Carboxylic acids Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - 1-benzothiophene - Benzoic acid - Benzothiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Benzoyl - Toluene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Thiourea - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - 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