Compound Identification
SMILES
[K+].COC1=C(C=C(CC2SC([O-])=NC2=O)C=C1)C(=O)NCC1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=KXJGEOGNWBYJKD-UHFFFAOYSA-M
Formula
C20H16F3KN2O4S
Mass
476.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 N-benzylbenzamides
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Level 5
Benzamides
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
N-benzylbenzamides
Alternative Parents
Trifluoromethylbenzenes Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Thiazolines Secondary carboxylic acid amides N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic metal halides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Alkyl fluorides Organic potassium salts Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylbenzamide - Trifluoromethylbenzene - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Meta-thiazoline - Carboxamide group - Secondary carboxylic acid amide - N-acylimine - Organic metal halide - Carboxylic acid derivative - Ether - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic potassium salt - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxide - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors
Not available