Compound Identification
SMILES
CCC1=CC(Br)=C(OCC(=O)NNC(=S)NC(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=CXXNFDMVHUSHQX-UHFFFAOYSA-N
Formula
C18H17BrClN3O3S
Mass
470.77
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
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
4-halobenzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl chloride - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Organobromide - Aromatic homomonocyclic 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