Compound Identification
SMILES
C[C@H]1C2CC3=C(C=C(SC(=O)C4=CC=CC=C4)C=C3)[C@]1(C)CCN2CCC1=CC=CC=C1
InChIKey
InChIKey=PXJBWCRIQUEDIZ-ACVDAPDLSA-N
Formula
C29H31NOS
Mass
441.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
6,7-benzomorphans
- Subclass 2,6-dimethyl-3-benzazocines
-
Class
6,7-benzomorphans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-benzomorphans
Subclass
2,6-dimethyl-3-benzazocines
Intermediate Tree Nodes
Not available
Direct Parent
2,6-dimethyl-3-benzazocines
Alternative Parents
Benzazocines Tetralins Thiobenzoic acids and derivatives Phenethylamines Benzoic acids and derivatives Aryl thioethers Benzoyl derivatives Aralkylamines Piperidines Trialkylamines Thioesters Amino acids and derivatives Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,6-dimethyl-3-benzazocine - Benzazocine - Tetralin - Benzoic acid or derivatives - Phenethylamine - Thiobenzoic acid or derivatives - Aryl thioether - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Amino acid or derivatives - Tertiary amine - Thiocarboxylic acid ester - Tertiary aliphatic amine - Carbothioic s-ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.
External Descriptors
Not available