Compound Identification
SMILES
COC1=C(C)C=C(Br)C=C1C(=O)NC1=NC2=C(S1)C=C(C=C2)N1CCOCC1
InChIKey
InChIKey=KNHMIMWCRARFOY-UHFFFAOYSA-N
Formula
C20H20BrN3O3S
Mass
462.36
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
3-halobenzoic acids and derivatives
Alternative Parents
m-Toluamides Benzamides Benzothiazoles Anisoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Bromobenzenes Aryl bromides Morpholines Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Toluamide - M-toluamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Toluene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Morpholine - Oxazinane - Heteroaromatic compound - Azole - Thiazole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available