Compound Identification
SMILES
COC1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=OUQMRSIVBLGSJV-UHFFFAOYSA-N
Formula
C26H28N4O2S
Mass
460.6
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 Benzoic acids and derivatives Anisoles Aniline and substituted anilines Benzoyl derivatives Benzylamines Dialkylarylamines Methoxybenzenes Phenylmethylamines Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Aralkylamines Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Phenol ether - Benzoyl - Benzylamine - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Anisole - Phenoxy compound - Aralkylamine - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Thiourea - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur 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