Compound Identification
SMILES
CN1CCN(CC1)C(=O)NC1=CC(OC2=C(F)C=C(NC(=S)NC(=O)CC3=CC=C(F)C=C3)C=C2)=NC=N1
InChIKey
InChIKey=WTRQCOAXBBCSPD-UHFFFAOYSA-N
Formula
C25H25F2N7O3S
Mass
541.58
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
Diarylethers Phenylacetamides Piperazine carboxamides Phenol ethers Phenoxy compounds Fluorobenzenes N-methylpiperazines Aryl fluorides Imidolactams Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Trialkylamines Amino acids and derivatives Ureas Thioureas Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Diaryl ether - Phenylacetamide - Piperazine-1-carboxamide - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Pyrimidine - Piperazine - Imidolactam - Aryl fluoride - Aryl halide - 1,4-diazinane - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - 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