Compound Identification
SMILES
CCC(N(CCCN(C)C)C(=O)C1=CC=C(Br)C=C1)C1=NC2=C(C=CS2)C(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=PMKFYXJHYDSCDE-UHFFFAOYSA-N
Formula
C28H31BrN4O2S
Mass
567.55
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 Thienopyrimidines Benzoyl derivatives Bromobenzenes Pyrimidones Aryl bromides Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Lactams Amino acids and derivatives Trialkylamines Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Thienopyrimidine - Benzoyl - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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