Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N1CCCC3=CC=CC=C13)=C2
InChIKey
InChIKey=WBBRZXPCMQXNDT-UHFFFAOYSA-N
Formula
C26H23N3O4S2
Mass
505.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Benzenesulfonamides Hydroquinolines N-phenylthioureas Benzenesulfonyl compounds Pyranones and derivatives Organosulfonamides Heteroaromatic compounds Sulfonyls Lactones Thioureas Oxacyclic compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - Tetrahydroquinoline - N-phenylthiourea - 1-benzopyran - Benzenesulfonyl group - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactone - Thiourea - Organoheterocyclic compound - Azacycle - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available