Compound Identification
SMILES
FC1=C(F)C(F)=C(N2CCN(CC2)C2=C(Cl)C=C(NC(=S)NC(=O)C3=CC=CO3)C=C2)C(F)=C1F
InChIKey
InChIKey=KQMPGTPWFDVVQX-UHFFFAOYSA-N
Formula
C22H16ClF5N4O2S
Mass
530.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
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
Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Dialkylarylamines Furoic acid and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Thioureas Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Piperazine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Heteroaromatic compound - Furan - Thiourea - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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