Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C(=S)N(C1C1=CC=C(C=C1)C#N)C(=O)C1CC1)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=JPTJZDYRBPSUDK-UHFFFAOYSA-N
Formula
C26H22F3N3O3S
Mass
513.54
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
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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
Trifluoromethylbenzenes Hydropyrimidine carboxylic acids and derivatives Benzonitriles Pyrimidinethiones 2-Thiopyrimidines Cyclopropanecarboxylic acids and derivatives Vinylogous amides Enoate esters Tertiary amines Amino acids and derivatives Thioureas Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Trifluoromethylbenzene - Hydropyrimidine carboxylic acid derivative - Benzonitrile - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Cyclopropanecarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary amine - Thiourea - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Nitrile - Carbonitrile - Amine - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Alkyl fluoride - Alkyl halide - 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