Structure Information
Structure

Compound Identification

SMILES

CC(=O)C(=CN1C(=S)SC2=CC=CC=C12)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=AKIFWSLMJSPRGH-UHFFFAOYSA-N

Formula

C18H13N3O4S2

Mass

399.44

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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

1,3-benzothiazole - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Azole - Thiazole - Organic nitro compound - Carboxamide group - Ketone - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur 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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