Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.CCCSC1=CC2=C(C=C1)N(COC(=O)C1=CC=C(CN)C=C1)C(NC(=O)OC)=N2

InChIKey

InChIKey=XPKIVAYMPZMJEW-UHFFFAOYSA-N

Formula

C21H26Cl2N4O4S

Mass

501.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

2-benzimidazolylcarbamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

2-benzimidazolylcarbamic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-benzimidazolylcarbamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzylamine - Aryl thioether - Phenylmethylamine - Benzoyl - Thiophenol ether - Alkylarylthioether - Aralkylamine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Imidazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.

External Descriptors

Not available

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