Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC1=C(CCNC(NC2=CC=C(OC3=CC=CC=C3)C=C2)=[NH+]CCN2CCCC2)SC=N1
InChIKey
InChIKey=ADVORMDFOKXQHJ-UHFFFAOYSA-N
Formula
C27H32F3N5O3S
Mass
563.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Diphenylethers
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers Phenoxy compounds Phenol ethers 4,5-disubstituted thiazoles N-alkylpyrrolidines Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Carboxylic acid salts Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Organic oxides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - 4,5-disubstituted 1,3-thiazole - N-alkylpyrrolidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Carboxylic acid salt - Guanidine - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors
Not available