Compound Identification
SMILES
ClC1=CC=C(NC(=S)N2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)C=C1
InChIKey
InChIKey=YMTOTLYTJXHWEO-UHFFFAOYSA-N
Formula
C22H30ClN3S
Mass
404.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
N-alkylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines Thioureas Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Chlorobenzene - N-alkylpiperazine - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Thiourea - Tertiary amine - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available