Compound Identification
SMILES
O=C(NNC(=S)NC1CC(OC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=CCSPQOLQLJHPHB-UHFFFAOYSA-N
Formula
C23H21N3O2S
Mass
403.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavans
Alternative Parents
1-benzopyrans Benzoic acids and derivatives Benzoyl derivatives Alkyl aryl ethers Thiosemicarbazides Carboxylic acid hydrazides Oxacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavan - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available