Compound Identification
SMILES
COC1=CC2=NC=CC(OC3=CC(F)=C(NC(=S)NC(=O)C4=C(Cl)C=CC=C4Cl)C=C3)=C2C=C1OC
InChIKey
InChIKey=LZIBTNIFFSXSLM-UHFFFAOYSA-N
Formula
C25H18Cl2FN3O4S
Mass
546.39
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
Diarylethers Quinolines and derivatives 2-halobenzoic acids and derivatives Phenoxy compounds Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Diaryl ether - Quinoline - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Pyridine - Aryl fluoride - Aryl halide - Aryl chloride - Vinylogous halide - Heteroaromatic compound - Thiourea - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - 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