Compound Identification
SMILES
BrC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1
InChIKey
InChIKey=JVNKWQMZRKEEQP-UHFFFAOYSA-N
Formula
C19H19BrN4O3S
Mass
463.35
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Bromobenzenes N-acyl amines Aryl bromides Vinylogous halides Thiosemicarbazides Secondary carboxylic acid amides Carboxylic acid hydrazides Organosulfur compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Fatty acyl - Fatty amide - N-acyl-amine - Vinylogous halide - Thiosemicarbazide - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available