Compound Identification
SMILES
CSC1=CC=CC=C1NC(=O)N1CCCN(CC2=NOC(=N2)C2=C(C)ON=C2C)CC1
InChIKey
InChIKey=UBNBIWFWAHVOJL-UHFFFAOYSA-N
Formula
C21H26N6O3S
Mass
442.54
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
Thiophenol ethers Aralkylamines Alkylarylthioethers 1,4-diazepanes Isoxazoles Heteroaromatic compounds 1,2,4-oxadiazoles Ureas Trialkylamines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Aryl thioether - Thiophenol ether - 1,4-diazepane - Diazepane - Aralkylamine - Alkylarylthioether - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Isoxazole - Oxadiazole - Tertiary amine - Tertiary aliphatic amine - Urea - Thioether - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - 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