Compound Identification
SMILES
CCOC(=O)C(O)(C1=CC(OC)=C(NC(=S)NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=C1)C(F)(F)F
InChIKey
InChIKey=JQZJWUSLFIWFQF-UHFFFAOYSA-N
Formula
C20H17Cl2F3N2O5S
Mass
525.32
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
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Aryl chlorides Vinylogous halides Tertiary alcohols Thioureas Fluorohydrins Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Alkyl fluorides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxyaniline - 1,3-dichlorobenzene - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Tertiary alcohol - Vinylogous halide - Thiourea - Halohydrin - Carboxylic acid ester - Fluorohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic homomonocyclic 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