Compound Identification
SMILES
CNCC1=C(Cl)C=CC(=C1)C(=O)NC1=NC2=C(OC)C=CC(N3CCOCC3)=C2S1
InChIKey
InChIKey=NBQUZAZEWMNNFG-UHFFFAOYSA-N
Formula
C21H23ClN4O3S
Mass
446.95
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
Benzothiazoles Benzamides Methoxyanilines Benzoyl derivatives Phenylmethylamines Benzylamines Anisoles Dialkylarylamines Alkyl aryl ethers Chlorobenzenes Aralkylamines Aryl chlorides Morpholines Heteroaromatic compounds Thiazoles Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Dialkylamines Azacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Methoxyaniline - Benzamide - Phenol ether - Phenylmethylamine - Anisole - Tertiary aliphatic/aromatic amine - Benzoyl - Benzylamine - Dialkylarylamine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - Morpholine - Aryl halide - Aryl chloride - Oxazinane - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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