Compound Identification
SMILES
CC1=C(CN(CC2=CC=CC=C2)C(=O)CN(CCN2CCCC2)C(=O)NC2=CC(Cl)=CC=C2)SC=C1
InChIKey
InChIKey=ZUAVFYBVOFRTTL-UHFFFAOYSA-N
Formula
C28H33ClN4O2S
Mass
525.11
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
Alpha amino acids and derivatives Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Urea - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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