Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)S(C)(=O)=O
InChIKey
InChIKey=LJEMBWJPXYUEEM-UHFFFAOYSA-N
Formula
C21H26N4O3S2
Mass
446.58
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
N-arylpiperazines Phenylpiperazines Benzoic acids and derivatives Aniline and substituted anilines o-Xylenes Benzoyl derivatives Dialkylarylamines Organic sulfonamides Organosulfonamides Sulfonyls Thioureas Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Benzoic acid or derivatives - Benzoyl - O-xylene - Xylene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1,4-diazinane - Piperazine - Organic sulfonic acid amide - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Organooxygen compound - Organic oxygen compound - Organosulfur 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