Compound Identification
SMILES
COC1=CC=C(CSCCNC(=O)CN(CCSCC2=CC=C(OC)C=C2)C[C@@H]2[C@H]3CC[C@@H](C[C@@H]2C2=CC=C(Cl)C=C2)N3C)C=C1
InChIKey
InChIKey=DGPZQMOUTSIMFE-NRTZDQBCSA-N
Formula
C37H48ClN3O3S2
Mass
682.38
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 Alpha amino acid amides Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Chlorobenzenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Alpha-amino acid amide - Phenylpiperidine - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Dialkylthioether - Thioether - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - 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