Compound Identification
SMILES
CCN1C(CC2=CC=C(OC)C=C2)=NN=C1SCC(=O)NC1=CC=CC(=C1)C(O)=O
InChIKey
InChIKey=GRDHSRYNJQXNOT-UHFFFAOYSA-N
Formula
C21H22N4O4S
Mass
426.49
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
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Anilides Benzoic acids Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Anilide - Benzoic acid - Phenol ether - N-arylamide - Methoxybenzene - Benzoyl - Phenoxy compound - Aryl thioether - Anisole - Alkylarylthioether - Alkyl aryl ether - 1,2,4-triazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available