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N-benzoyl-N'-[3-cyano-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]thiourea
SpectraBase Compound ID J7gMs4lFWeC
InChI InChI=1S/C24H22N4OS2/c25-15-20-19-12-14-28(13-11-17-7-3-1-4-8-17)16-21(19)31-23(20)27-24(30)26-22(29)18-9-5-2-6-10-18/h1-10H,11-14,16H2,(H2,26,27,29,30)
InChIKey GJGIORQFSOWFRW-UHFFFAOYSA-N
Mol Weight 446.59 g/mol
Molecular Formula C24H22N4OS2
Exact Mass 446.123504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZGjlpLmVxG
Name N-Benzoyl-N'-[3-cyano-6-(2-phenylethyl)-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 446.123503691 u
Formula C24H22N4OS2
InChI InChI=1S/C24H22N4OS2/c25-15-20-19-12-14-28(13-11-17-7-3-1-4-8-17)16-21(19)31-23(20)27-24(30)26-22(29)18-9-5-2-6-10-18/h1-10H,11-14,16H2,(H2,26,27,29,30)
InChIKey GJGIORQFSOWFRW-UHFFFAOYSA-N
Molecular Weight 446.587 g/mol
SMILES N(C1=C(C=2CCN(CC2S1)CCC=1C=CC=CC1)C#N)C(NC(=O)C=1C=CC=CC1)=S