Compound Identification
SMILES
COC1=CC2=C(OC(=N2)C2=CC(NC(=S)NC(=O)C3=CC=C(O3)C3=C(Cl)C=C(Cl)C=C3)=CC=C2)C=C1
InChIKey
InChIKey=LMLWEHKBFIYCMH-UHFFFAOYSA-N
Formula
C26H17Cl2N3O4S
Mass
538.4
Taxonomic Classification
Taxonomy Tree
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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 Benzoxazoles Anisoles Dichlorobenzenes Furoic acid and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzoxazole - Furoic acid or derivatives - Anisole - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Furan - Oxazole - Thiourea - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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