N1-(2-{[(Benzylamino)carbothioyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide
4550
Reference
N1-(2-{[(Benzylamino)carbothioyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide Structure
Systematic / IUPAC Name: N-{2-[(Benzylcarbamothioyl)amino]ethyl}-2-(4-hydroxyphenyl)acetamide
ID: Reference4550
Other Names: Benzeneacetamide, 4-hydroxy-N-[2-({[(phenylmethyl)amino]thioxomethyl}amino)ethyl]-
Formula: C18H21N3O2S
Spectral Data
N1-(2-{[(Benzylamino)carbothioyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 228 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/14/2016 7:32:05 AM |
Identificators
| InChI | InChI=1S/C18H21N3O2S/c22-16-8-6-14(7-9-16)12-17(23)19-10-11-20-18(24)21-13-15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H,19,23)(H2,20,21,24) |
| InChI Key | IHUVFSJCCUOXHG-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CNC(=S)NCCNC(=O)CC2=CC=C(C=C2)O |
| CAS | |
| Splash | |
| Other Names | Benzeneacetamide, 4-hydroxy-N-[2-({[(phenylmethyl)amino]thioxomethyl}amino)ethyl]- |
In Other Databases
| ChEMBL | CHEMBL1730302 |
| ChemSpider | 2007907 |
| PubChem | 2725835 |