Compound Identification
SMILES
CC1=C(CN(CC2=CC=CC=C2)C(=O)CN(CC2CCCO2)C(=O)NC2=CC(F)=CC=C2)SC=C1
InChIKey
InChIKey=BXQUPVXJAQGPNI-UHFFFAOYSA-N
Formula
C27H30FN3O3S
Mass
495.61
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 Fluorobenzenes Aryl fluorides Thiophenes Tertiary carboxylic acid amides Oxolanes Heteroaromatic compounds Ureas Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Oxolane - Carboxamide group - Urea - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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