4-Cyclohexylpiperazin-1-carbothioic acid 2-[1-[2-pyridyl]ethylidene]thiosemicarbazide

SpectraBase Compound ID	Oo6NyLZc2F
InChI	InChI=1S/C18H27N5S/c1-15(17-9-5-6-10-19-17)20-21-18(24)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3,(H,21,24)/b20-15-
InChIKey	XRNUKBNDPNWHJV-HKWRFOASSA-N Google Search
Mol Weight	345.51 g/mol
Molecular Formula	C18H27N5S
Exact Mass	345.198717 g/mol

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SpectraBase Spectrum ID	lYyK3xrHNH
Name	4-Cyclohexylpiperazin-1-carbothioic acid 2-[1-[2-pyridyl]ethylidene]thiosemicarbazide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	345.198717063 u
Formula	C18H27N5S
InChI	InChI=1S/C18H27N5S/c1-15(17-9-5-6-10-19-17)20-21-18(24)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3,(H,21,24)/b20-15-
InChIKey	XRNUKBNDPNWHJV-HKWRFOASSA-N
Molecular Weight	345.509 g/mol
SMILES	C1=CC=CC(=N1)\C(=N/NC(N1CCN(CC1)C1CCCCC1)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.811502