Structure Information
Structure

Compound Identification

SMILES

C[C@@H](OC1=C(SC(=C1)N1C=NC2=C1C=C(OC[C@H](O)CN1CCCC1)C=C2)C(N)=O)C1=CC=CC=C1Cl

InChIKey

InChIKey=VVQWZQWJWMTPJY-QZTJIDSGSA-N

Formula

C27H29ClN4O4S

Mass

541.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzimidazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzimidazole - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Thiophene - Imidazole - Azole - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary alcohol - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Alcohol - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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

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