Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=C2N=C(NC(=O)C3=CC=C(CNCCCN4C=CN=C4)C=C3)SC2=C(C=C1)C1=CC=CC=C1

InChIKey

InChIKey=INHUTFLFLAYNIL-UHFFFAOYSA-N

Formula

C28H28ClN5O2S

Mass

534.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Anisole - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Thiazole - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Ether - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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