Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CN2C(=S)NC3=C2C(CN1CC=C(C)C)=CC(Cl)=C3.CC1=C(SC2=CC=CC=C2)N(COCCO)C(=O)NC1=O

InChIKey

InChIKey=CDMWIOGRAWZTCA-MERQFXBCSA-N

Formula

C30H36ClN5O4S2

Mass

630.22

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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

1,4-benzodiazepines

Alternative Parents

Molecular Framework

Not available

Substituents

Diarylthioether - 1,4-benzodiazepine - Benzimidazole - Aryl thioether - Thiophenol ether - Para-diazepine - Pyrimidone - Aralkylamine - Vinylogous thioester - Hydropyrimidine - Imidazole-2-thione - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Aryl halide - Pyrimidine - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Thiourea - Tertiary amine - Tertiary aliphatic amine - Lactam - Thioether - Azacycle - Sulfenyl compound - Primary alcohol - Organohalogen compound - Amine - Organochloride - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

External Descriptors

Not available

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