Compound Identification
SMILES
CC1=C(NC(=S)NC2=CC=C(C=C2)[N+]([O-])=O)C=C2C(SC(C)(C)CC2(C)C)=C1
InChIKey
InChIKey=MJSONANZUBKYJB-UHFFFAOYSA-N
Formula
C21H25N3O2S2
Mass
415.57
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
Thiochromanes Nitrobenzenes 1-benzothiopyrans Nitroaromatic compounds Alkylarylthioethers Thiopyrans Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Thiochromane - Nitrobenzene - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Thiopyran - C-nitro compound - Thiourea - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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