Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=CC=C(Br)C=C2)SC(C(=O)N2CCCCCC2)=C1C
InChIKey
InChIKey=LWFDNKILMHTYDH-UHFFFAOYSA-N
Formula
C22H25BrN2O4S
Mass
493.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Thiophene carboxamides 2-heteroaryl carboxamides Benzoyl derivatives Azepanes Bromobenzenes Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Bromobenzene - Halobenzene - Azepane - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available