Compound Identification
SMILES
CN1CCC2=C(C1)SC(NC(=O)C1=C(Cl)C=C(Cl)C=C1)=C2C(N)=O
InChIKey
InChIKey=APEMWEGXWUEPHQ-UHFFFAOYSA-N
Formula
C16H15Cl2N3O2S
Mass
384.28
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
2-halobenzoic acids and derivatives Thienopyridines Pyridinecarboxamides Benzamides Thiophene carboxamides Benzoyl derivatives Dichlorobenzenes Aralkylamines Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Pyridinecarboxamide - Thienopyridine - Benzoyl - 1,3-dichlorobenzene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Amino acid or derivatives - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen 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