Compound Identification
SMILES
O=C(COC(=O)C1=CC=C(C=C1)N1C(=O)CC(SC2=C(C#N)C(=CC(=N2)C2=CC=CC=C2)C2=CC=CC=C2)C1=O)C1=CC=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=RUULTCSFGLLIJS-UHFFFAOYSA-N
Formula
C43H29N3O5S
Mass
699.78
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
Alkyl-phenylketones Biphenyls and derivatives Phenylpyridines Phenylpyrrolidines Benzoic acid esters Aryl alkyl ketones Benzoyl derivatives 3-pyridinecarbonitriles Alkylarylthioethers N-substituted carboxylic acid imides Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Pyrroles Lactams Carboxylic acid esters Azacyclic compounds Nitriles Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Alkyl-phenylketone - Biphenyl - 2-phenylpyridine - 4-phenylpyridine - 1-phenylpyrrolidine - Benzoate ester - Phenylketone - Aryl thioether - Benzoyl - Aryl ketone - Aryl alkyl ketone - 3-pyridinecarbonitrile - Alkylarylthioether - Pyrrolidone - Pyridine - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrole - Pyrrolidine - Carboxylic acid ester - Ketone - Lactam - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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