Compound Identification
SMILES
OC1CN(C1)C1CCN(CC1)C(=O)NC1=NC=CC(OC2=C(F)C=C(NC(=S)NC(=O)CC3=CC=CC=C3)C=C2)=C1
InChIKey
InChIKey=UAGTXZOWABJSPA-UHFFFAOYSA-N
Formula
C29H31FN6O4S
Mass
578.66
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 Piperidinecarboxamides Phenol ethers Phenoxy compounds Aminopiperidines Fluorobenzenes Aryl fluorides Imidolactams Pyridines and derivatives Heteroaromatic compounds Amino acids and derivatives Thioureas Trialkylamines Azetidines 1,2-aminoalcohols Secondary alcohols Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Diaryl ether - Phenylacetamide - 1-piperidinecarboxamide - Piperidinecarboxamide - Phenoxy compound - Phenol ether - Halobenzene - 4-aminopiperidine - Fluorobenzene - Aryl fluoride - Aryl halide - Imidolactam - Piperidine - Pyridine - Heteroaromatic compound - Tertiary amine - Thiourea - Tertiary aliphatic amine - Urea - Azetidine - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organosulfur compound - Amine - Carbonyl group - Alcohol - 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