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N-[(3-Cyclohexylamino)propyl]-2-[[(1,1'-biphenyl-4-yl)carbonyl]amino]-1,3-thiazol-4-yl-acetamide
SpectraBase Compound ID LHCReZKMp2C
InChI InChI=1S/C27H32N4O2S/c32-25(29-17-7-16-28-23-10-5-2-6-11-23)18-24-19-34-27(30-24)31-26(33)22-14-12-21(13-15-22)20-8-3-1-4-9-20/h1,3-4,8-9,12-15,19,23,28H,2,5-7,10-11,16-18H2,(H,29,32)(H,30,31,33)
InChIKey ZJTXLYXQXCYMRX-UHFFFAOYSA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H32N4O2S
Exact Mass 476.224597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzwZOMqn1ep
Name N-[(3-Cyclohexylamino)propyl]-2-[[(1,1'-biphenyl-4-yl)carbonyl]amino]-1,3-thiazol-4-yl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.224597458 u
Formula C27H32N4O2S
InChI InChI=1S/C27H32N4O2S/c32-25(29-17-7-16-28-23-10-5-2-6-11-23)18-24-19-34-27(30-24)31-26(33)22-14-12-21(13-15-22)20-8-3-1-4-9-20/h1,3-4,8-9,12-15,19,23,28H,2,5-7,10-11,16-18H2,(H,29,32)(H,30,31,33)
InChIKey ZJTXLYXQXCYMRX-UHFFFAOYSA-N
Molecular Weight 476.639 g/mol
SMILES C(C1=CC=C(C=C1)C1=CC=CC=C1)(NC=1SC=C(CC(=O)NCCCNC2CCCCC2)N1)=O