Compound Identification
SMILES
O[C@H]1CCN(CC2=CC3=C(C[C@H](CC3)N3C=NC4=C(SC(=C4)C4=CC=C(Cl)C=C4)C3=O)C=C2)C1
InChIKey
InChIKey=CAILZPXJWKALTA-GOTSBHOMSA-N
Formula
C27H26ClN3O2S
Mass
492.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Thienopyrimidines 2,3,5-trisubstituted thiophenes Aralkylamines Pyrimidones Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Secondary alcohols Lactams Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - N-alkylpyrrolidine - Aryl chloride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Lactam - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available