Compound Identification
SMILES
CC(C)(C)C(=O)NCC1=CC=C(NC(=O)N(C[C@@H](O)C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=JCGIBEQQFLJCLL-XMMPIXPASA-N
Formula
C27H29Cl2N3O3
Mass
514.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
-
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
Dichlorobenzenes Aryl chlorides Ureas Tertiary amines Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylurea - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Carboxamide group - Urea - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic 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