Compound Identification
SMILES
COC1=CC2=C(OC(=N2)C2=CC(NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)=CC=C2)C=C1
InChIKey
InChIKey=ZEIOCMMLVJWKRQ-UHFFFAOYSA-N
Formula
C26H25N3O3S
Mass
459.56
Taxonomic Classification
Taxonomy Tree
-
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
Phenyl-1,3-oxazoles Phenylpropanes Benzoic acids and derivatives Benzoxazoles Anisoles Benzoyl derivatives Alkyl aryl ethers Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzoic acid or derivatives - Benzoxazole - Phenylpropane - Anisole - Benzoyl - Alkyl aryl ether - Azole - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen 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