Compound Identification
SMILES
COC1=C(OCC2=CC(F)=CC=C2)C(Br)=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C1
InChIKey
InChIKey=VETRNCGWSKCMIA-UHFFFAOYSA-N
Formula
C26H18BrFN2O6S
Mass
585.4
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 Thiobarbituric acid derivatives Benzoic acids Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Diazinanes Aryl fluorides Thioureas Carboxylic acids Azacyclic compounds Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - N-phenylthiourea - Thiobarbiturate - Benzoic acid - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Bromobenzene - 1,3-diazinane - Aryl bromide - Aryl fluoride - Aryl halide - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboxylic acid - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organofluoride - Organobromide - 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