Compound Identification
SMILES
COC(=O)C1=C(N[C@@H](NC(=O)C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)SC2=C1CCCC2
InChIKey
InChIKey=RBYFMGJTEBIQSP-GOSISDBHSA-N
Formula
C19H18Cl4N2O3S
Mass
496.22
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 carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Secondary alkylarylamines Aryl chlorides Methyl esters Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Organooxygen compound - Organohalogen 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