Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C1=C(F)C(F)=C(F)C(F)=C1F
InChIKey
InChIKey=HDDDDDSPFRCECQ-UHFFFAOYSA-N
Formula
C28H27F5N4O2S
Mass
578.6
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
Phenylpiperazines N-arylpiperazines Benzoic acids and derivatives Phenoxy compounds Phenol ethers Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Alkyl aryl ether - Piperazine - 1,4-diazinane - Aryl fluoride - Aryl halide - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - 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