Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC1=NC2=C(C=CC(SC3=CC=C(NC(=O)NC4=CC(Cl)=C(Cl)C=C4)C=C3)=C2)N1C(=O)NC1=CC=CC=C1

InChIKey

InChIKey=PNJNULWFMIQYJX-UHFFFAOYSA-N

Formula

C29H22Cl2N6O4S

Mass

621.49

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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 - Diarylthioether - N-phenylurea - 1,2-dichlorobenzene - Thiophenol ether - Aryl thioether - Imidazole-1-carbonyl group - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - N-substituted imidazole - Heteroaromatic compound - Azole - Carbamic acid ester - Imidazole - Urea - Thioether - Sulfenyl compound - Azacycle - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - 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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