Compound Identification
SMILES
COC1=CC=C(CC2SC(N\N=C/C3=CC=C(C=C3)C(C)C)=NC2=O)C=C1
InChIKey
InChIKey=QWBLCENJPXVBGL-XKZIYDEJSA-N
Formula
C21H23N3O2S
Mass
381.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiazolines N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Meta-thiazoline - N-acylimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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