Compound Identification
SMILES
CSC1=CC=C(NC(=O)N(CC(C)C)CC(=O)N(CC2=C(C)C=CS2)CC2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=XHVLRPYEVHQBQG-UHFFFAOYSA-N
Formula
C27H32FN3O2S2
Mass
513.69
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 Thiophenol ethers Fluorobenzenes Alkylarylthioethers Aryl fluorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Sulfenyl compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylurea - Aryl thioether - Thiophenol ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Urea - Carboxamide group - Sulfenyl compound - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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