Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(OCC(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F)C=C1
InChIKey
InChIKey=JEBQSNCELUTBFM-UHFFFAOYSA-N
Formula
C16H12F3N3O4S
Mass
399.34
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
Nitrophenyl ethers Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrophenyl ether - Trifluoromethylbenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Thiourea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic zwitterion - Organic salt - 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