Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCCCSC2=NN=C3N2S(=O)(=O)C2=CC=CC=C2N3C2=CC=CC=C2)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1

InChIKey

InChIKey=CSDHOVKXIZNZRY-NRFANRHFSA-N

Formula

C30H28N6O5S2

Mass

616.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

1,4-benzodiazepines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolo[2,1-c][1,4]benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,1-c][1,4]benzodizepine - 1,2,4-benzothiadiazine-1,1-dioxide - Benzothiadiazine - Aryl thioether - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Sulfonyl - Organic sulfonic acid or derivatives - 1,2,4-triazole - Organosulfonic acid or derivatives - Heteroaromatic compound - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Imine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.

External Descriptors

Not available

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