Compound Identification
SMILES
COC1=C(Cl)C=C(Cl)C=C1C(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N1CCCC1
InChIKey
InChIKey=HIXZNDGDOSHYTO-UHFFFAOYSA-N
Formula
C20H18Cl2F3N3O2S
Mass
492.34
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
Phenylpyrrolidines Trifluoromethylbenzenes 3-halobenzoic acids and derivatives Aniline and substituted anilines Anisoles Benzoyl derivatives Dialkylarylamines Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aryl chlorides Pyrroles Thioureas Amino acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - 1-phenylpyrrolidine - Trifluoromethylbenzene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Pyrrolidine - Pyrrole - Amino acid or derivatives - Thiourea - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Alkyl halide - Organofluoride - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Amine - Organohalogen compound - 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