Compound Identification
SMILES
CSC1=CC(=CC(=C1C(=O)N[C@@H]1CCCC[C@@H]1N1CCCC1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=YMNNLLUVQWNOMS-CABCVRRESA-N
Formula
C20H24F6N2OS
Mass
454.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Benzamides Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Cyclohexylamines Vinylogous thioesters N-alkylpyrrolidines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organofluorides Alkyl fluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Cyclohexylamine - Alkylarylthioether - Vinylogous thioester - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available