Compound Identification
SMILES
CC1=CC=CC=C1C(=O)NC(=S)NC1=C(C=C(I)C=C1)C(F)(F)F
InChIKey
InChIKey=IKTGTXWQXDCVNL-UHFFFAOYSA-N
Formula
C16H12F3IN2OS
Mass
464.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Trifluoromethylbenzenes o-Toluamides Benzoic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Thioureas Carboxylic acids and derivatives Organic oxides Organofluorides Hydrocarbon derivatives Organoiodides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Trifluoromethylbenzene - Benzoic acid or derivatives - O-toluamide - Toluamide - Benzoyl - Toluene - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Thiourea - Carboxylic acid derivative - Alkyl fluoride - Organoiodide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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