Compound Identification
SMILES
ClC1=CC(Cl)=C(C=C1)C(=O)N1CCN(CC1)C1=NC(=O)C(S1)=CC1=CC=CS1
InChIKey
InChIKey=KXKOYBWJPGQWAQ-UHFFFAOYSA-N
Formula
C19H15Cl2N3O2S2
Mass
452.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Benzamides Benzoyl derivatives Dichlorobenzenes Aryl chlorides Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Thiazolines Thiophenes Vinylogous halides N-acylimines Isothioureas Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Thiophene - Meta-thiazoline - Tertiary carboxylic acid amide - Vinylogous halide - Heteroaromatic compound - N-acylimine - Carboxamide group - Isothiourea - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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