Compound Identification
SMILES
CCOC1=C(OCC)C(I)=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C1
InChIKey
InChIKey=XIFBENJWMVPZQW-UHFFFAOYSA-N
Formula
C22H19IN2O6S
Mass
566.37
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
Thiobarbituric acid derivatives Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Iodobenzenes Heterocyclic fatty acids Halogenated fatty acids Branched fatty acids Alkyl aryl ethers Unsaturated fatty acids N-acyl amines Diazinanes Vinyl iodides Monocarboxylic acids and derivatives Iodoalkenes Carboxylic acids Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Thiobarbiturate - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Iodobenzene - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Unsaturated fatty acid - N-acyl-amine - 1,3-diazinane - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen 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