Compound Identification
SMILES
COC1=CC=C(C=C2SC(=O)N(CCNC(=O)C3=CC(Cl)=C(Cl)C=C3)C2=O)C=C1
InChIKey
InChIKey=DUHPYWQCFRWHLW-UHFFFAOYSA-N
Formula
C20H16Cl2N2O4S
Mass
451.32
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
3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Thiazolidinediones Alkyl aryl ethers Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - 1,2-dichlorobenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Halobenzene - Alkyl aryl ether - Thiazolidinedione - Chlorobenzene - Aryl chloride - Aryl halide - Thiazolidine - Dicarboximide - Carboxamide group - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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