Compound Identification
SMILES
CCOC(=O)C1(CCSC)CN(N=C1C1=CC=C(Cl)C=C1)C(=O)NC1=CC=C(Br)C=C1
InChIKey
InChIKey=HBGDWHCBXQSZFC-UHFFFAOYSA-N
Formula
C22H23BrClN3O3S
Mass
524.86
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
Bromobenzenes Fatty acid esters Chlorobenzenes Semicarbazones Aryl bromides Aryl chlorides Pyrazolines Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Bromobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Fatty acyl - Semicarbazone - Semicarbazide - Pyrazoline - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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