Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)N1CC[NH+](CC2=CC=CC=C2)CC1
InChIKey
InChIKey=JMIZDLIDNDWMPQ-UHFFFAOYSA-O
Formula
C27H31N4O3S
Mass
491.63
Taxonomic Classification
Taxonomy Tree
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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
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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 Dimethoxybenzenes Benzoic acids and derivatives Anisoles Benzoyl derivatives Benzylamines Dialkylarylamines Aniline and substituted anilines Phenoxy compounds Phenylmethylamines N-alkylpiperazines Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Trialkylamines Amino acids and derivatives Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Phenylpiperazine - N-arylpiperazine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Anisole - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Aralkylamine - N-alkylpiperazine - Alkyl aryl ether - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organosulfur compound - Organonitrogen compound - Organooxygen 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