Compound Identification
SMILES
COC1=CC(CCNC(=O)CSC2=CC=CC(CSC3=NC4=CC=CC=C4N3)=C2C)=C(OC)C=C1
InChIKey
InChIKey=HGIOTFYZWUIOIR-UHFFFAOYSA-N
Formula
C27H29N3O3S2
Mass
507.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzimidazoles Thiophenol ethers Phenoxy compounds Anisoles Toluenes Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-dimethoxybenzene - Dimethoxybenzene - Benzimidazole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Toluene - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic 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