Compound Identification
SMILES
CC1(C)CC2=C(SC(NC(=O)C3=C(Cl)C=CC(Cl)=C3)=C2C(N)=O)C(C)(C)N1
InChIKey
InChIKey=LKILMFFUPYLZEX-UHFFFAOYSA-N
Formula
C19H21Cl2N3O2S
Mass
426.36
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
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Pyridinecarboxamides Thienopyridines Thiophene carboxamides Dichlorobenzenes Benzoyl derivatives Aralkylamines Aryl chlorides Vinylogous amides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organooxygen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Pyridinecarboxamide - Thienopyridine - Benzoyl - 1,4-dichlorobenzene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Thiophene - Vinylogous halide - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available