Compound Identification
SMILES
CNC(=S)[C@@]1(CCCC[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=NC=C1
InChIKey
InChIKey=CTNPYGQJNYPKFU-PXNSSMCTSA-N
Formula
C20H22N2O2S
Mass
354.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Pyridines and derivatives Thioamides Heteroaromatic compounds Carboxylic acid esters Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Pyridine - Thioamide - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Thiocarboxylic acid amide - Carboxylic acid derivative - Azacycle - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available