Compound Identification
SMILES
CCC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=CC=C1N1CCN(CC1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=JKHDOLDQKIDRDF-UHFFFAOYSA-N
Formula
C27H28N4O2S
Mass
472.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 Benzamides Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Tertiary carboxylic acid amides Thioureas Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Thiourea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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