Compound Identification
SMILES
CCOC(=O)C(\C#N)=C1\S\C(=C\NC2=CC=C(NC(=O)NCC3CCCN3CC)C=C2)C(=O)N1CC
InChIKey
InChIKey=ZMSADECRQDMMMQ-LREAIVCSSA-N
Formula
C25H32N6O4S
Mass
512.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Aniline and substituted anilines Secondary alkylarylamines N-alkylpyrrolidines Vinylogous amides Enoate esters Heteroaromatic compounds Thiazoles Ureas Lactams Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Lactam - Amino acid or derivatives - Tertiary amine - Urea - Tertiary aliphatic amine - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available