Compound Identification
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C=C2)=CC(C)=C1
InChIKey
InChIKey=YTWUCPOWBJZQJF-UHFFFAOYSA-N
Formula
C26H29N3O3S2
Mass
495.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Sulfanilides Benzenesulfonamides Phenylpropanes Benzoic acids and derivatives Benzenesulfonyl compounds m-Xylenes Benzoyl derivatives Organosulfonamides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzenesulfonamide - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Benzoyl - M-xylene - Xylene - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiourea - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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