Compound Identification
SMILES
COC1=C(OC)C=C(CNC(=O)C2=CSC(=N2)C2CCN(CC2)C(=S)NC2=CC=C(C=C2)N(C)C)C=C1
InChIKey
InChIKey=MFXAZTTUMSFZOU-UHFFFAOYSA-N
Formula
C27H33N5O3S2
Mass
539.71
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
Dimethoxybenzenes 2-heteroaryl carboxamides Aniline and substituted anilines Anisoles Dialkylarylamines Phenoxy compounds Thiazolecarboxamides 2,4-disubstituted thiazoles Alkyl aryl ethers Piperidines Heteroaromatic compounds Thioureas Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - O-dimethoxybenzene - Dimethoxybenzene - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Tertiary aliphatic/aromatic amine - Thiazolecarboxamide - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Piperidine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic 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