Compound Identification
SMILES
CCOC1=C(Br)C=C(C=C1)C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)N1CCN(CC)CC1
InChIKey
InChIKey=UUPCADHSUPEVOA-UHFFFAOYSA-N
Formula
C22H26BrClN4O2S
Mass
525.89
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
N-arylpiperazines Phenylpiperazines 3-halobenzoic acids and derivatives Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines Phenol ethers Phenoxy compounds N-alkylpiperazines Chlorobenzenes Alkyl aryl ethers Bromobenzenes Aryl chlorides Aryl bromides Trialkylamines Amino acids and derivatives Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
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 - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - N-alkylpiperazine - Bromobenzene - Alkyl aryl ether - Piperazine - 1,4-diazinane - Aryl bromide - Aryl chloride - Aryl halide - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - 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