Compound Identification
SMILES
BrC1=CC=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)N2CCN(CC3=CC=CC=C3)CC2)C=C1
InChIKey
InChIKey=ZAHGKGSTBIQZKR-UHFFFAOYSA-N
Formula
C26H27BrN4O2S
Mass
539.49
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
-
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 Phenylmethylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Dialkylarylamines Benzylamines Alkyl aryl ethers N-alkylpiperazines Aralkylamines Bromobenzenes Aryl bromides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - N-alkylpiperazine - Bromobenzene - Aralkylamine - Alkyl aryl ether - 1,4-diazinane - Aryl bromide - Piperazine - Aryl halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Hydrocarbon derivative - 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