Compound Identification
SMILES
COC1=CC2=C(OC(=N2)C2=CC(NC(=S)NC(=O)C=CC3=CC=C(Cl)C=C3)=C(C)C=C2)C=C1
InChIKey
InChIKey=PSDXZUVJOXEGRW-UHFFFAOYSA-N
Formula
C25H20ClN3O3S
Mass
477.96
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
Cinnamic acids and derivatives Phenyl-1,3-oxazoles Benzoxazoles Styrenes Anisoles Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Phenyl-1,3-oxazole - Benzoxazole - Anisole - Styrene - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Oxazole - Thiourea - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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