Compound Identification
SMILES
CCC(N(CC\C(C)=C\N)C(=O)C1=CC=C(Cl)C=C1)C1=NC2=C(C(C)=NS2)C(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=IPZNKZYULSKHNH-FBMGVBCBSA-N
Formula
C28H30ClN5O2S
Mass
536.09
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 Benzoyl derivatives Pyrimidones Chlorobenzenes Aryl chlorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactams Allylamines Azacyclic compounds Enamines Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Allylamine - Carboxylic acid derivative - Azacycle - Enamine - Organoheterocyclic compound - Primary amine - Primary aliphatic amine - Organohalogen compound - Amine - Hydrocarbon derivative - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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