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N-Benzoyl-N'-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)thiourea
SpectraBase Compound ID CCUuSM3FDLq
InChI InChI=1S/C23H20N4OS2/c24-13-19-18-11-12-27(14-16-7-3-1-4-8-16)15-20(18)30-22(19)26-23(29)25-21(28)17-9-5-2-6-10-17/h1-10H,11-12,14-15H2,(H2,25,26,28,29)
InChIKey LPTBIQZEKKDTEQ-UHFFFAOYSA-N
Mol Weight 432.56 g/mol
Molecular Formula C23H20N4OS2
Exact Mass 432.107854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSCQ8UJinBJ
Name N-Benzoyl-N'-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-C]pyridin-2-yl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.107853627 u
Formula C23H20N4OS2
InChI InChI=1S/C23H20N4OS2/c24-13-19-18-11-12-27(14-16-7-3-1-4-8-16)15-20(18)30-22(19)26-23(29)25-21(28)17-9-5-2-6-10-17/h1-10H,11-12,14-15H2,(H2,25,26,28,29)
InChIKey LPTBIQZEKKDTEQ-UHFFFAOYSA-N
Molecular Weight 432.560 g/mol
SMILES C(#N)C1=C(SC=2CN(CCC12)CC1=CC=CC=C1)NC(NC(=O)C1=CC=CC=C1)=S