Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SC(=CC3=C(C)N(CC4=CC=CC=C4C#N)C4=CC=CC=C34)C(=O)N2C1C1=CC=C(C=C1)C(C)C

InChIKey

InChIKey=PATDOVGZNDFASK-UHFFFAOYSA-N

Formula

C37H34N4O3S

Mass

614.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-cymene - Aromatic monoterpenoid - N-alkylindole - Indole or derivatives - Phenylpropane - Indole - Cumene - Benzonitrile - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Pyrrole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Isothiourea - Lactam - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

External Descriptors

Not available

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