Compound Identification
SMILES
C[C@@]12CC3C[C@@](C)(C1)CC(N)(C3)C2.C[C@H](C1=CNC(=S)N1)C1=CC=CC(C)=C1C
InChIKey
InChIKey=BVBGFCFYQWOQDA-WDRQFHSESA-N
Formula
C25H37N3S
Mass
411.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
o-Xylenes
Alternative Parents
Imidazolethiones Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
O-xylene - Imidazole-2-thione - Azole - Imidazole - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Azacycle - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
External Descriptors
Not available