Compound Identification
SMILES
NC1=C(C(=O)C2=CC=C(I)C=C2)C2=C(CN(CC2)C(=O)OCC2=CC=CC=C2)S1
InChIKey
InChIKey=IAZSBSPWSIGVFA-UHFFFAOYSA-N
Formula
C22H19IN2O3S
Mass
518.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
2-amino-3-benzoylthiophenes Benzyloxycarbonyls Thienopyridines 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Vinylogous amides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organoiodides Organopnictogen compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - Benzyloxycarbonyl - Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Iodobenzene - Benzenoid - 2-aminothiophene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Carbamic acid ester - Thiophene - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Organoiodide - Organonitrogen compound - Primary amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available