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1'-((3-chloro-2-methylphenyl)carbamothioyl)-[1,4'-bipiperidine]-4'-carboxamide

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1'-((3-chloro-2-methylphenyl)carbamothioyl)-[1,4'-bipiperidine]-4'-carboxamide
SpectraBase Compound ID 8lLhPWNE3Jo
InChI InChI=1S/C19H27ClN4OS/c1-14-15(20)6-5-7-16(14)22-18(26)23-12-8-19(9-13-23,17(21)25)24-10-3-2-4-11-24/h5-7H,2-4,8-13H2,1H3,(H2,21,25)(H,22,26)
InChIKey QKHWJHPPBMROMR-UHFFFAOYSA-N
Mol Weight 394.97 g/mol
Molecular Formula C19H27ClN4OS
Exact Mass 394.15941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cfSjz9ogBU
Name 1'-((3-chloro-2-methylphenyl)carbamothioyl)-[1,4'-bipiperidine]-4'-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.159410378 u
Formula C19H27ClN4OS
InChI InChI=1S/C19H27ClN4OS/c1-14-15(20)6-5-7-16(14)22-18(26)23-12-8-19(9-13-23,17(21)25)24-10-3-2-4-11-24/h5-7H,2-4,8-13H2,1H3,(H2,21,25)(H,22,26)
InChIKey QKHWJHPPBMROMR-UHFFFAOYSA-N
Molecular Weight 394.965 g/mol
SMILES NC(C1(CCN(C(NC2=C(C(Cl)=CC=C2)C)=S)CC1)N1CCCCC1)=O