Compound Identification
SMILES
CCOC1=C(OCC2=CC=CC=C2F)C(Br)=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C1
InChIKey
InChIKey=ZNVDRANYBMZBLD-UHFFFAOYSA-N
Formula
C27H20BrFN2O6S
Mass
599.43
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 Bromobenzenes Fluorobenzenes Aryl fluorides Diazinanes Aryl bromides Thioureas Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organofluorides Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - N-phenylthiourea - Benzoic acid - Thiobarbiturate - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - 1,3-diazinane - Thiourea - Carboxylic acid - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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