Compound Identification
SMILES
CC(N1CCC(CCCO)(OC1=O)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(S1)C(C)=O
InChIKey
InChIKey=NTVSIYWAWYQYHA-UHFFFAOYSA-N
Formula
C27H29NO4S
Mass
463.59
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
2,5-disubstituted thiophenes Benzene and substituted derivatives 1,3-oxazinanes Heteroaromatic compounds Carbamate esters Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - 2,5-disubstituted thiophene - 1,3-oxazinane - Monocyclic benzene moiety - Oxazinane - Benzenoid - Heteroaromatic compound - Thiophene - Carbamic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available