Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC1=CC2=C(OC(=O)C=C2)C=C1
InChIKey
InChIKey=FNDKDLOBAAZCQU-UHFFFAOYSA-N
Formula
C21H20N2O3S
Mass
380.46
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 Phenylpropanes Benzoic acids and derivatives Benzoyl derivatives Pyranones and derivatives Heteroaromatic compounds Thioureas Lactones Oxacyclic compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Thiourea - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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