Compound Identification
SMILES
O[C@@H](CNCCC1=CC=C(NC(=S)NC2=CC=CC=C2[N+]([O-])=O)C=C1)COC1=CC=CC=C1
InChIKey
InChIKey=HYQMMFAEGAPILY-FQEVSTJZSA-N
Formula
C24H26N4O4S
Mass
466.56
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
Phenethylamines Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Thioureas Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Phenethylamine - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aralkylamine - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Thiourea - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Ether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Amine - Aromatic homomonocyclic 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