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ethanediamide, N~1~-[4-(2-benzothiazolyl)phenyl]-N~2~-(3-pyridinylmethyl)-

View entire compound with spectra: 2 NMR

ethanediamide, N~1~-[4-(2-benzothiazolyl)phenyl]-N~2~-(3-pyridinylmethyl)-
SpectraBase Compound ID ILJpdA5JvGy
InChI InChI=1S/C21H16N4O2S/c26-19(23-13-14-4-3-11-22-12-14)20(27)24-16-9-7-15(8-10-16)21-25-17-5-1-2-6-18(17)28-21/h1-12H,13H2,(H,23,26)(H,24,27)
InChIKey VBNZBPMUSNCNKE-UHFFFAOYSA-N
Mol Weight 388.45 g/mol
Molecular Formula C21H16N4O2S
Exact Mass 388.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KudJ28ypvs2
Name Ethanediamide, N~1~-[4-(2-benzothiazolyl)phenyl]-N~2~-(3-pyridinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.099396943 u
Formula C21H16N4O2S
InChI InChI=1S/C21H16N4O2S/c26-19(23-13-14-4-3-11-22-12-14)20(27)24-16-9-7-15(8-10-16)21-25-17-5-1-2-6-18(17)28-21/h1-12H,13H2,(H,23,26)(H,24,27)
InChIKey VBNZBPMUSNCNKE-UHFFFAOYSA-N
Molecular Weight 388.445 g/mol
SMILES N(C(C(NCC1=CN=CC=C1)=O)=O)C1=CC=C(C2=NC=3C=CC=CC3S2)C=C1