Compound Identification
SMILES
CCCN1C(=O)C(SC1=NC1=CC=CC=C1)=CC1=CC(Br)=C(OC)C=C1OC
InChIKey
InChIKey=HWRQWEGHSACCSY-UHFFFAOYSA-N
Formula
C21H21BrN2O3S
Mass
461.37
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
Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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