Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C1=CSC(=N1)C1CCN(CC1)C(=O)NC1=C(F)C=C(Br)C=C1
InChIKey
InChIKey=LQVNEDUBAJEHOW-UHFFFAOYSA-N
Formula
C21H18BrFN4O3S
Mass
505.36
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
Piperidinecarboxamides Nitrobenzenes Nitroaromatic compounds 2,4-disubstituted thiazoles Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Ureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Nitrobenzene - 1-piperidinecarboxamide - Piperidinecarboxamide - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Piperidine - Aryl fluoride - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Urea - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organohalogen compound - Organic salt - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - 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