Compound Identification
SMILES
COC1=CC2=C(C=C1)N(CC1=CSC3=CC=CC=C13)C(SCCCC(O)=O)=N2
InChIKey
InChIKey=ZOILJVJUOUIDJB-UHFFFAOYSA-N
Formula
C21H20N2O3S2
Mass
412.52
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
1-benzothiophenes Anisoles Thia fatty acids Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Thiophenes Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Benzimidazole - Benzothiophene - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Thia fatty acid - Fatty acyl - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiophene - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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