Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=S)NC(=O)[C@H](C=NCC2=CC=CC=N2)C1=O
InChIKey
InChIKey=PQCHSBJANUYLHI-HNNXBMFYSA-N
Formula
C18H16N4O2S
Mass
352.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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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
Thiobarbituric acid derivatives Toluenes Pyridines and derivatives Diazinanes 1,3-dicarbonyl compounds Heteroaromatic compounds Thioureas Shiff bases Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Toluene - 1,3-diazinane - Pyridine - 1,3-dicarbonyl compound - Heteroaromatic compound - Shiff base - Thiourea - Carboxylic acid derivative - Azacycle - Aldimine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Imine - Aromatic heteromonocyclic 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