Compound Identification
SMILES
COC1=C(NC(=O)C(C)C)C=CC(NC(=S)NC(=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=JBHATWLHLRYNRP-UHFFFAOYSA-N
Formula
C20H21N3O5S
Mass
415.46
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
Anilides Benzodioxoles Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Thioureas Secondary carboxylic acid amides Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Benzodioxole - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Thiourea - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic 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