Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=VOIKNZJXJCOVTE-UHFFFAOYSA-N
Formula
C18H12BrN3O4S
Mass
446.28
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 4-halobenzoic acids and derivatives Benzoyl derivatives Pyranones and derivatives Bromobenzenes Aryl bromides Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Lactones Oxacyclic compounds Organic oxides Organobromides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Halobenzene - Pyranone - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Pyran - Benzenoid - Aryl bromide - Thiosemicarbazide - Heteroaromatic compound - Lactone - Carboxylic acid hydrazide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen 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