Compound Identification
SMILES
CC1=CC(=CC=C1)C(O)CN1CCC(=CC1)C1=NNC(=O)CS1
InChIKey
InChIKey=NTTOTKBBVLKHMF-UHFFFAOYSA-N
Formula
C17H21N3O2S
Mass
331.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Aralkylamines Hydropyridines Trialkylamines Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Aralkylamine - Hydropyridine - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Alcohol - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available