Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)NC(=S)NC1=CC=CC=C1N1CCN(CC1)S(C)(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=WELRKSCCXKTOSB-UHFFFAOYSA-N
Formula
C20H23N5O6S2
Mass
493.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
N-arylpiperazines Phenylpiperazines Nitrophenyl ethers Benzoic acids and derivatives Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Organic sulfonamides Organosulfonamides Sulfonyls Amino acids and derivatives Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Nitrophenyl ether - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 1,4-diazinane - Organosulfonic acid amide - Organic sulfonic acid amide - Piperazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Thiourea - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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