Compound Identification
SMILES
CCCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=C(OC)C=CC(Br)=C2)C=C1
InChIKey
InChIKey=QXFKYINYZAICSK-UHFFFAOYSA-N
Formula
C23H27BrN4O3S
Mass
519.46
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 Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
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 - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Anisole - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Alkyl aryl ether - Bromobenzene - Piperazine - Aryl halide - 1,4-diazinane - Aryl bromide - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Thiourea - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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