Compound Identification
SMILES
CCCCCCCCCCCCCCCC1=C(C2C(C(=O)OC)=C(C)NC(CSC3=NC4=CC=CC=C4N3)=C2C(=O)OC)C(OC)=CC=C1
InChIKey
InChIKey=SHMWLPJETSSANQ-UHFFFAOYSA-N
Formula
C40H55N3O5S
Mass
689.96
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
Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Imidazoles Enoate esters Heteroaromatic compounds Sulfenyl compounds Dialkylamines Enamines Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Benzimidazole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Dihydropyridine - Alkylarylthioether - Hydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Azole - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Imidazole - Vinylogous amide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Sulfenyl compound - Thioether - Enamine - Ether - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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