Compound Identification
SMILES
CC1=C(Br)C=C(C=C1)C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=BBWWMIHOFHVIIB-UHFFFAOYSA-N
Formula
C20H22BrN3O2S
Mass
448.38
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
3-halobenzoic acids and derivatives
Alternative Parents
p-Toluamides Phenylpropanes Benzoyl derivatives Bromobenzenes Aryl bromides Thiosemicarbazides Carboxylic acid hydrazides Organosulfur compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - P-toluamide - Toluamide - Phenylpropane - Benzoyl - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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