Compound Identification
SMILES
COC1=CC=C(NC(=O)NC2=NC(CCC(=O)NCC3=C(F)C=CC=C3F)=CS2)C=C1
InChIKey
InChIKey=XPMROBYUHBXHQA-UHFFFAOYSA-N
Formula
C21H20F2N4O3S
Mass
446.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Fatty amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Urea - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available