Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1N=C2NC3=CC=CC=C3N2C(=S)N1C1=CC=CC=C1
InChIKey
InChIKey=IIUHFDFTLKQVHX-UHFFFAOYSA-N
Formula
C21H15N5O2S
Mass
401.44
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
Nitrobenzenes Benzimidazoles Nitroaromatic compounds Aminotriazines 1,3,5-triazines Thioureas Guanidines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Benzimidazole - Nitrobenzene - Nitroaromatic compound - Aminotriazine - Triazine - 1,3,5-triazine - Guanidine - C-nitro compound - Thiourea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic salt - Organic oxygen 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