Compound Identification
SMILES
COC1=CC=CC=C1NCC(O)CSC1=NN=C(NCC2=CNC3=CC=CC=C23)S1
InChIKey
InChIKey=DHVGMEQZDGSJKN-UHFFFAOYSA-N
Formula
C21H23N5O2S2
Mass
441.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
-
Subclass
Indoles
-
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
Aminophenyl ethers Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Phenylalkylamines 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Alkylarylthioethers Secondary alkylarylamines Substituted pyrroles Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Aryl thioether - Aniline or substituted anilines - Anisole - Phenylalkylamine - Phenol ether - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - Substituted pyrrole - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Thiadiazole - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Ether - Sulfenyl compound - Secondary amine - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Amine - 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