Compound Identification
SMILES
CCN1C(CCNC(=O)C2=CC(Cl)=C(Cl)C=C2)=NN=C1SCC(=O)NC1=CC=CC=C1OC
InChIKey
InChIKey=NCAYXNVVGQFWAA-UHFFFAOYSA-N
Formula
C22H23Cl2N5O3S
Mass
508.42
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 Anilides Methoxyanilines Benzamides Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl 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 - Anilide - Methoxyaniline - Anisole - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Phenoxy compound - Aryl thioether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-triazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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