Compound Identification
SMILES
O=C1N(CC2=CC=CC=C2)C2CCS(=O)CCC2N1CC1=CC=CC=C1
InChIKey
InChIKey=QAFDDWORBXKOTL-UHFFFAOYSA-N
Formula
C21H24N2O2S
Mass
368.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiepanes
Alternative Parents
Imidazolidinones Benzene and substituted derivatives Ureas Sulfoxides Sulfinyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiepane - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Urea - Sulfoxide - Azacycle - Sulfinyl compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom.
External Descriptors
Not available