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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Aromatic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
N-alkylindoles Phenylpropanes Cumenes Indoles Benzonitriles Substituted pyrroles Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides
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