Compound Identification
SMILES
COC1=CC=C(NC2=[NH+]C(N)=C(S2)C(=O)C2=CC=C(OC)C=C2)C=C1
InChIKey
InChIKey=XQKUGFIWKSKCDL-UHFFFAOYSA-O
Formula
C18H18N3O3S
Mass
356.42
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
Methoxyanilines 2,4,5-trisubstituted thiazoles Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2-amino-1,3-thiazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Primary amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Methoxyaniline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - 1,3-thiazolamine - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Azole - Vinylogous amide - Secondary amine - Azacycle - Ether - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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