Compound Identification
SMILES
CCCCN1CCC(CC1)C1=CSC2=C1C=C(NC(=O)C1=CC=CC=C1Br)C=C2
InChIKey
InChIKey=BNQSSWYHGFAEQJ-UHFFFAOYSA-N
Formula
C24H27BrN2OS
Mass
471.46
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
2-halobenzoic acids and derivatives
Alternative Parents
1-benzothiophenes Benzamides Benzoyl derivatives Aralkylamines Bromobenzenes Piperidines Aryl bromides Vinylogous halides Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzothiophene - 1-benzothiophene - Benzoyl - Bromobenzene - Halobenzene - Aralkylamine - Piperidine - Aryl bromide - Aryl halide - Vinylogous halide - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available