Compound Identification
SMILES
CCCCCCOC1=C(Br)C=C(C=C1)C(=O)NC(=S)NNC(=O)COC1=CC(C)=C(Cl)C(C)=C1
InChIKey
InChIKey=MUERUMATRULDGC-UHFFFAOYSA-N
Formula
C24H29BrClN3O4S
Mass
570.93
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-Xylenes Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thiosemicarbazides Carboxylic acid hydrazides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organosulfur compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Phenoxy compound - M-xylene - Xylene - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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