Structure Information
Structure

Compound Identification

SMILES

CC(CO)CC1=CC=C(CCC2=CC3=C(S2)N2C(C)=NN=C2C(C)N=C3C2=CC=CC=C2Cl)C=C1

InChIKey

InChIKey=MWHLIBBNNAIPRH-UHFFFAOYSA-N

Formula

C28H29ClN4OS

Mass

505.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thieno-para-diazepine - Phenylpropane - 2,3,5-trisubstituted thiophene - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - 1,2,4-triazole - Azole - Ketimine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary alcohol - Organohalogen compound - Imine - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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