Compound Identification
SMILES
CSCCSCCC(=O)OC[C@@H]1[C@@H]2CC[C@H](C[C@@H]1C1=CC=CC=C1)N2C
InChIKey
InChIKey=SPQFWFPWOUMCHL-ZRNYENFQSA-N
Formula
C21H31NO2S2
Mass
393.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
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Class
Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Aralkylamines N-alkylpyrrolidines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Phenylpiperidine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
External Descriptors
Not available