Compound Identification
SMILES
COC1=C(C(=O)N2CCCN2C(=S)NC2=CC3=C(OCCO3)C=C2)C(OC)=C(Cl)C=C1
InChIKey
InChIKey=LESPTLMNZMHZKV-UHFFFAOYSA-N
Formula
C21H22ClN3O5S
Mass
463.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
-
Subclass
Methoxybenzenes
-
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
3-halobenzoic acids and derivatives Benzo-1,4-dioxanes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Para dioxins Aryl chlorides Thiosemicarbazides Pyrazolidines Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - M-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Para-dioxin - Thiosemicarbazide - Pyrazolidine - Carboxylic acid hydrazide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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