Compound Identification
SMILES
C[C@@H](NC(=O)NC1=CC=CC(CSC2=NC=NC3=C2C=NN3)=C1)C1=CC=CC=C1
InChIKey
InChIKey=QCFCVXJCFYWVQE-CQSZACIVSA-N
Formula
C21H20N6OS
Mass
404.49
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
Pyrazolo[3,4-d]pyrimidines Alkylarylthioethers Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Ureas Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Aryl thioether - Alkylarylthioether - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Urea - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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