Compound Identification
SMILES
CCN1C(=O)CC(SC1=NC1=CC=C(I)C=C1)C(=O)NC1=CC=C(C=C1)C(=O)OC
InChIKey
InChIKey=KPPFABSJSHFRJB-UHFFFAOYSA-N
Formula
C21H20IN3O4S
Mass
537.37
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
Benzoic acid esters Anilides Benzoyl derivatives N-arylamides Iodobenzenes Thiazinanes Aryl iodides Methyl esters Secondary carboxylic acid amides Isothioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Anilide - Benzoyl - N-arylamide - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - 1,3-thiazinane - Methyl ester - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organoiodide - Organonitrogen compound - 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