Compound Identification
SMILES
CC1=CC=CC=C1NCC(O)CSC1=NN=C(NCC2=CNC3=CC=CC=C23)S1
InChIKey
InChIKey=LQXKAFANMJCRPD-UHFFFAOYSA-N
Formula
C21H23N5OS2
Mass
425.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Substituted pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Aryl thioether - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Thiadiazole - Pyrrole - Azole - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Alcohol - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available