Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=VOIKNZJXJCOVTE-UHFFFAOYSA-N

Formula

C18H12BrN3O4S

Mass

446.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Halobenzene - Pyranone - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Pyran - Benzenoid - Aryl bromide - Thiosemicarbazide - Heteroaromatic compound - Lactone - Carboxylic acid hydrazide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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