Structure Information
Structure

Compound Identification

SMILES

CCC(C)(C)C1=CC(=C(OCCCCNC(=O)C2=CC(=C3NN=C(SC(=O)NC4=CC=C(NNC=O)C=C4)S3)C3=CC=CC=C3C2=O)C=C1)C(C)(C)CC

InChIKey

InChIKey=BRLLBCRCIWNRPR-UHFFFAOYSA-N

Formula

C41H48N6O5S2

Mass

768.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalenecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalenecarboxylic acid or derivatives - Phenylpropane - Phenol ether - Phenylhydrazine - Phenoxy compound - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Thiadiazoline - Carboxamide group - Carboxylic acid hydrazide - Ketene acetal or derivatives - Ketone - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Azacycle - Hydrazone - Ether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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