Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC1=NC2=CC=CC=C2N1.ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O.CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1

InChIKey

InChIKey=QRLULYOZBVMKIO-UHFFFAOYSA-N

Formula

C33H34Cl5N7O6S

Mass

833.99

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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

Not available

Substituents

2-benzimidazolylcarbamic acid ester - Isoindole - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Carbamic acid ester - 1,2,4-triazole - Imidazole - Azole - Carbonic acid derivative - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - 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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