Compound Identification
SMILES
CN1CCN(C[C@@H]2[C@H](SC3=CC=CC=C3C2=O)C2=CC=CC=C2)CC1
InChIKey
InChIKey=JBPAUKYNZOKBIP-GHTZIAJQSA-N
Formula
C21H24N2OS
Mass
352.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Thiochromanes
- Subclass Thioflavans
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Class
Thiochromanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiochromanes
Subclass
Thioflavans
Intermediate Tree Nodes
Not available
Direct Parent
Thioflavans
Alternative Parents
1-benzothiopyrans Aryl alkyl ketones N-methylpiperazines Aralkylamines Alkylarylthioethers Vinylogous thioesters Thiopyrans Benzene and substituted derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioflavan - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Aryl ketone - Aryl alkyl ketone - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Thiopyran - Benzenoid - Vinylogous thioester - Tertiary aliphatic amine - Tertiary amine - Ketone - Thioether - Azacycle - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioflavans. These are compounds containing a thiochromane skeleton substituted at the 2-position with a phenyl group.
External Descriptors
Not available