Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=C(C[NH+]2CCOCC2)C=C1
InChIKey
InChIKey=VPSPIGPJZMEBAB-UHFFFAOYSA-O
Formula
C19H21N4O4S
Mass
401.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Morpholines Quaternary ammonium salts Thioureas Amino acids and derivatives Trialkylamines Organic oxoazanium compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - Nitrobenzene - Phenylmethylamine - Nitroaromatic compound - Benzoyl - Benzylamine - Aralkylamine - Morpholine - Oxazinane - Quaternary ammonium salt - Amino acid or derivatives - C-nitro compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available