For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-piperazinecarbothioamide, 4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-

View entire compound with spectra: 2 NMR

1-piperazinecarbothioamide, 4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-
SpectraBase Compound ID AFSDvtVF7kn
InChI InChI=1S/C19H36N6O2S/c1-21-5-9-24(10-6-21)18(26)17-23-7-11-25(12-8-23)19(28)20-3-2-4-22-13-15-27-16-14-22/h2-17H2,1H3,(H,20,28)
InChIKey VSTBOMCMASVHHP-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C19H36N6O2S
Exact Mass 412.262046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IXbjTpulSML
Name 1-Piperazinecarbothioamide, 4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.262045595 u
Formula C19H36N6O2S
InChI InChI=1S/C19H36N6O2S/c1-21-5-9-24(10-6-21)18(26)17-23-7-11-25(12-8-23)19(28)20-3-2-4-22-13-15-27-16-14-22/h2-17H2,1H3,(H,20,28)
InChIKey VSTBOMCMASVHHP-UHFFFAOYSA-N
Molecular Weight 412.597 g/mol
SMILES N(C(N1CCN(CC1)CC(N1CCN(CC1)C)=O)=S)CCCN1CCOCC1