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2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-phenyl-1-piperazinecarbodithioate

View entire compound with spectra: 2 NMR

2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-phenyl-1-piperazinecarbodithioate
SpectraBase Compound ID CT1fbZRCwOr
InChI InChI=1S/C22H23N3OS2/c1-16-21(18-9-5-6-10-19(18)23-16)20(26)15-28-22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,23H,11-15H2,1H3
InChIKey MVIYZJJUAMDMOP-UHFFFAOYSA-N
Mol Weight 409.57 g/mol
Molecular Formula C22H23N3OS2
Exact Mass 409.128255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0pewJYa4i5
Name 2-(2-Methyl-1H-indol-3-yl)-2-oxoethyl 4-phenyl-1-piperazinecarbodithioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.128254720 u
Formula C22H23N3OS2
InChI InChI=1S/C22H23N3OS2/c1-16-21(18-9-5-6-10-19(18)23-16)20(26)15-28-22(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,23H,11-15H2,1H3
InChIKey MVIYZJJUAMDMOP-UHFFFAOYSA-N
Molecular Weight 409.566 g/mol
SMILES N1C2=C(C(=C1C)C(CSC(N1CCN(CC1)C1=CC=CC=C1)=S)=O)C=CC=C2