Compound Identification
SMILES
COC1=C(OC)C=C(SCC(=O)N2CCCN(CC3=CC=NC=C3)CC2)C=C1
InChIKey
InChIKey=XCRBTVDFUAJGEQ-UHFFFAOYSA-N
Formula
C21H27N3O3S
Mass
401.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Thiophenol ethers Anisoles Phenoxy compounds 1,4-diazepanes Alkyl aryl ethers Alkylarylthioethers Aralkylamines Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Thiophenol ether - 1,4-diazepane - Alkyl aryl ether - Diazepane - Aralkylamine - Alkylarylthioether - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Sulfenyl compound - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available