Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(Cl)C=C2)C(I)=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C1
InChIKey
InChIKey=SJYLQRGDXMGXFZ-UHFFFAOYSA-N
Formula
C27H20ClIN2O6S
Mass
662.88
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
N-phenylthioureas Benzoic acids Thiobarbituric acid derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Iodobenzenes Aryl iodides Diazinanes Aryl chlorides Thioureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Organoiodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - 1,3-diazinane - Thiourea - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Organochloride - 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