Compound Identification
SMILES
COC1=C(Br)C=C(Br)C=C1C(=O)NC(=S)NC1=NC2=C(S1)C=C(NC(C)=O)C=C2
InChIKey
InChIKey=QQEPXYXGKPOYMB-UHFFFAOYSA-N
Formula
C18H14Br2N4O3S2
Mass
558.26
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
N-acetylarylamines Benzothiazoles Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Acetamides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-benzothiazole - N-acetylarylamine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - N-arylamide - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Aryl bromide - Acetamide - Thiazole - Azole - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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