Compound Identification
SMILES
CC1=CC=C(CN(CC2=CC=CC=C2)C(=O)CN(C2CCCCC2)C(=O)NC2=CC(Cl)=C(C)C=C2)S1
InChIKey
InChIKey=GCAAZTBSVKZIFF-UHFFFAOYSA-N
Formula
C29H34ClN3O2S
Mass
524.12
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
Alpha amino acids and derivatives Toluenes Chlorobenzenes 2,5-disubstituted thiophenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylurea - Chlorobenzene - 2,5-disubstituted thiophene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Urea - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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