Compound Identification
SMILES
NCC1=CN=C(S1)[C@@]12C[C@@H]1C[C@@H](CC2)N(CCN1CC[C@@H](O)C1)C(=O)NC1=CC(=C(F)C=C1)C(F)(F)F
InChIKey
InChIKey=UVBPBIXSYPZFDH-MDXXILDGSA-N
Formula
C25H31F4N5O2S
Mass
541.61
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
Trifluoromethylbenzenes 2,5-disubstituted thiazoles Aralkylamines Fluorobenzenes N-alkylpyrrolidines Aryl fluorides Heteroaromatic compounds Ureas Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Trifluoromethylbenzene - 2,5-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - N-alkylpyrrolidine - Aryl halide - Thiazole - Pyrrolidine - Heteroaromatic compound - Azole - 1,2-aminoalcohol - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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