Compound Identification
SMILES
BrC1=CC=C(\C=C2\SC(=O)N(CC3=NC4=CC=CC=C4N3)C2=O)C=C1
InChIKey
InChIKey=YUVRGJQQNWLVOT-OQLLNIDSSA-N
Formula
C18H12BrN3O2S
Mass
414.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Thiazolidinediones Bromobenzenes Aryl bromides Imidazoles Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Tertiary amines Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Bromobenzene - Thiazolidinedione - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazolidine - Dicarboximide - Imidazole - Amino acid or derivatives - Thiocarbamic acid derivative - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available