Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)N1CCN(CC1)C1=C(F)C(F)=C(F)C(F)=C1F
InChIKey
InChIKey=QQAFMJVGJMLNEJ-UHFFFAOYSA-N
Formula
C25H19Cl2F5N4O2S
Mass
605.41
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 3-halobenzoic acids and derivatives Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Thioureas Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Anisole - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - 1,4-diazinane - Piperazine - Aryl chloride - Aryl halide - Aryl fluoride - Tertiary amine - Thiourea - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organochloride - 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