Compound Identification
SMILES
O=C(NC1=NC(=CS1)C1=CC2=C(OCCO2)C=C1)[C@H]1CN(C2CCCC2)C(=O)C1
InChIKey
InChIKey=WUXXEDBJCQDRSW-CQSZACIVSA-N
Formula
C21H23N3O4S
Mass
413.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
N-arylamides Pyrrolidinecarboxamides 2,4-disubstituted thiazoles Alkyl aryl ethers Benzenoids N-alkylpyrrolidines Para dioxins Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Lactams Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Para-dioxin - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available