Compound Identification
SMILES
COC1=C(NC(=O)NC2=CC=CC=C2Br)C=CC(CC(=O)N2CCC[C@H]2COC2=C(N)C=C(C=C2)C(O)=O)=C1
InChIKey
InChIKey=WSTODFRRWDDAHN-IBGZPJMESA-N
Formula
C28H29BrN4O6
Mass
597.466
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
Phenylacetamides Aminobenzoic acids Methoxyanilines Aminophenyl ethers Benzoic acids Phenoxy compounds N-acylpyrrolidines Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Ureas Amino acids Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Phenylacetamide - Aminobenzoic acid or derivatives - Aminobenzoic acid - Aminophenyl ether - Benzoic acid - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Benzoyl - N-acylpyrrolidine - Phenol ether - Aniline or substituted anilines - Anisole - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Amino acid - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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