Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC(=O)CSC1=NN=C(O1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VEKUUMHHNNITPW-UHFFFAOYSA-N
Formula
C18H14BrN3O4S
Mass
448.29
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
Benzoic acid esters Anilides N-arylamides Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides Vinylogous amides 1,3,4-oxadiazoles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Anilide - Aryl thioether - Benzoyl - N-arylamide - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Methyl ester - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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