Compound Identification
SMILES
COC1=C(Br)C=C(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=BXCDCBXWKBPWEV-UHFFFAOYSA-N
Formula
C25H19BrClF5N4O2S
Mass
649.86
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 Benzoyl derivatives Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Bromobenzenes Fluorobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Amino acids and derivatives Thioureas Azacyclic compounds Organofluorides Organobromides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Piperazine - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Tertiary amine - Thiourea - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Organic nitrogen 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