Compound Identification
SMILES
CCN1C(SCCNC(=O)C2=CC(Cl)=C(Cl)C=C2)=NN=C1C(C)NC(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=XCXKDPLCSYJUMJ-UHFFFAOYSA-N
Formula
C23H25Cl2N5O3S
Mass
522.45
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 Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Aryl thioether - Anisole - 1,2-dichlorobenzene - Phenol ether - Methoxybenzene - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - 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