Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C(=O)NCCC2=CC=C(C=C2)N=C(N)C2=CC=CS2)=C(O)C=C1

InChIKey

InChIKey=ROILKYJGLMPHSX-UHFFFAOYSA-N

Formula

C21H21N3O3S

Mass

395.48

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylamides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Methoxyphenol - Salicylamide - Benzamide - 4-alkoxyphenol - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Heteroaromatic compound - Vinylogous acid - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.

External Descriptors

Not available

Previous Back Next