Compound Identification
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C=CC3=CC=C(F)C=C3)C=C2)=CC(C)=C1
InChIKey
InChIKey=CKQXSDGYFJKRSR-UHFFFAOYSA-N
Formula
C24H22FN3O3S2
Mass
483.58
Taxonomic Classification
Taxonomy Tree
-
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
Cinnamic acids and derivatives Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds m-Xylenes Styrenes Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - M-xylene - Xylene - Styrene - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiourea - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organofluoride - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur 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