Compound Identification
SMILES
CCOC(=O)C1CCCN(C1)C(=O)C1=CSC(CN(CC2=CC(=CC=C2)C(F)(F)F)CC2=CC=CC=C2F)=N1
InChIKey
InChIKey=HCNJBUFTENSYNS-UHFFFAOYSA-N
Formula
C28H29F4N3O3S
Mass
563.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Piperidinecarboxylic acids N-acylpiperidines Thiazolecarboxamides 2-heteroaryl carboxamides Phenylmethylamines Benzylamines 2,4-disubstituted thiazoles Aralkylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-acyl-piperidine - Piperidinecarboxylic acid - 2-heteroaryl carboxamide - Benzylamine - Phenylmethylamine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aralkylamine - Fluorobenzene - 2,4-disubstituted 1,3-thiazole - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available