Compound Identification
SMILES
OCC1=CC=C(C=C1)C1CC(CSC2=CC=C(C=C2)C(O)=O)OC(O1)C1=CC=C(CNC(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1
InChIKey
InChIKey=TXCYLYRZCJHVGR-UHFFFAOYSA-N
Formula
C33H26F5NO6S
Mass
659.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 N-benzylbenzamides
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Level 5
Benzamides
-
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
4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives P-sulfanylbenzoic acids Benzoic acids Benzyl alcohols Benzoyl derivatives Thiophenol ethers Alkylarylthioethers Fluorobenzenes 1,3-dioxanes Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylbenzamide - P-sulfanylbenzoic acid - P-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid - Thiophenol ether - Benzyl alcohol - Benzoyl - Aryl thioether - Alkylarylthioether - Fluorobenzene - Halobenzene - Meta-dioxane - Aryl halide - Aryl fluoride - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Aromatic alcohol - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - 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