Structure Information
Structure

Compound Identification

SMILES

CCCCNC(=S)N(C[C@@H](NC(=O)CC1=CN=CN1CC1=CC=C(C=C1)[N+]([O-])=O)[C@@H](C)CC)CC1=C(Cl)C(Cl)=CC=C1

InChIKey

InChIKey=ZBXFQTDXOOSLBK-KDYSTLNUSA-N

Formula

C30H38Cl2N6O3S

Mass

633.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Organic nitro compound - C-nitro compound - Thiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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