Compound Identification
SMILES
[O-]C(=O)C1=CC=CC=C1NC(=O)CCN1C(=S)SC(=CC2=CC3=C(OCO3)C=C2)C1=O
InChIKey
InChIKey=OQAWIZPSBYEYCV-UHFFFAOYSA-M
Formula
C21H15N2O6S2
Mass
455.48
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
Beta amino acids and derivatives Anilides Benzodioxoles Benzoic acids N-arylamides Benzoyl derivatives Thiazolidinethiones Vinylogous amides Cyclic dithiocarbamic acid esters Secondary carboxylic acid amides Carboxylic acid salts Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organosulfur compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Beta amino acid or derivatives - Benzodioxole - Benzoic acid - Anilide - Benzoyl - N-arylamide - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Vinylogous amide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic anion - Aromatic heteropolycyclic 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