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N-(Tert-butyl)-4-(methylthio)-2-(2-phenyl-benzo[D]imidazol-1-yl)butanamide

View entire compound with spectra: 1 NMR

N-(Tert-butyl)-4-(methylthio)-2-(2-phenyl-benzo[D]imidazol-1-yl)butanamide
SpectraBase Compound ID 17koT8b421e
InChI InChI=1S/C22H27N3OS/c1-22(2,3)24-21(26)19(14-15-27-4)25-18-13-9-8-12-17(18)23-20(25)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H,24,26)
InChIKey WGCAGLMHNYZWMY-UHFFFAOYSA-N
Mol Weight 381.54 g/mol
Molecular Formula C22H27N3OS
Exact Mass 381.187484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqF00MqhEX3
Name N-(Tert-butyl)-4-(methylthio)-2-(2-phenyl-benzo[D]imidazol-1-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.187483674 u
Formula C22H27N3OS
InChI InChI=1S/C22H27N3OS/c1-22(2,3)24-21(26)19(14-15-27-4)25-18-13-9-8-12-17(18)23-20(25)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H,24,26)
InChIKey WGCAGLMHNYZWMY-UHFFFAOYSA-N
Molecular Weight 381.538 g/mol
SMILES C(C(CCSC)N1C(=NC=2C1=CC=CC2)C1=CC=CC=C1)(=O)NC(C)(C)C