Compound Identification
SMILES
CCCOC(=O)C1=CC=C(NC(=S)NC(=O)COC2=C(C)C=CC(C)=C2)C=C1
InChIKey
InChIKey=JNELXQBULLRIHI-UHFFFAOYSA-N
Formula
C21H24N2O4S
Mass
400.49
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
Benzoic acid esters p-Xylenes Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Thioureas Carboxylic acid esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - P-xylene - Xylene - Benzoyl - Phenol ether - Alkyl aryl ether - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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