Structure Information
Structure

Compound Identification

SMILES

CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(SC2=NC3=CC=CC=C3S2)C1=O

InChIKey

InChIKey=BTNSSHQXAOSNRE-HBEICTQUSA-N

Formula

C21H19N5O5S2

Mass

485.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Not available

Direct Parent

Indolequinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolequinone - 1,3-benzothiazole - Indole - Aryl thioether - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous thioester - Azole - Carbamic acid ester - Thiazole - Vinylogous amide - Heteroaromatic compound - Pyrroline - Pyrrolidine - Thioenolether - Ketone - Azacycle - Sulfenyl compound - Secondary amine - Aziridine - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolequinones. These are polycyclic compounds containing an indolequinone moiety, which consists of an indole bearing two ketones at positions 5 and 6 (or 4 and 7).

External Descriptors

Not available

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