Compound Identification
SMILES
CN1C(=S)NC2=C(NC(=O)NC3=CC=CC=C3Br)C=CC(C#N)=C12
InChIKey
InChIKey=ULWFKOAZBGYOJW-UHFFFAOYSA-N
Formula
C16H12BrN5OS
Mass
402.27
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
Benzimidazoles Bromobenzenes N-substituted imidazoles Imidazolethiones Aryl bromides Heteroaromatic compounds Ureas Thioureas Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Benzimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidazole-2-thione - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Urea - Thiourea - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Cyanide - Organohalogen compound - Organobromide - 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