Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)N1CCN(CC2=CC=CC=C2Cl)CC1
InChIKey
InChIKey=ICYUOHGFIDBSGU-UHFFFAOYSA-N
Formula
C26H26Cl2N4O2S
Mass
529.48
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 Benzoic acids and derivatives Aniline and substituted anilines Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Benzylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzoic acid or derivatives - Benzylamine - Benzoyl - Phenol ether - Phenylmethylamine - Phenoxy compound - Tertiary aliphatic/aromatic amine - Anisole - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Chlorobenzene - Alkyl aryl ether - 1,4-diazinane - Piperazine - Aryl halide - Aryl chloride - Thiourea - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic oxide - 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