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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 4mGAORK9ttP
InChI InChI=1S/C19H18N4O2S2/c1-25-11-6-7-14-15(8-11)22-19(21-14)26-10-17(24)23-18-13(9-20)12-4-2-3-5-16(12)27-18/h6-8H,2-5,10H2,1H3,(H,21,22)(H,23,24)
InChIKey JPLSNKJYBYFQJI-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C19H18N4O2S2
Exact Mass 398.087118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5E2W5d3fkq
Name N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.087118182 u
Formula C19H18N4O2S2
InChI InChI=1S/C19H18N4O2S2/c1-25-11-6-7-14-15(8-11)22-19(21-14)26-10-17(24)23-18-13(9-20)12-4-2-3-5-16(12)27-18/h6-8H,2-5,10H2,1H3,(H,21,22)(H,23,24)
InChIKey JPLSNKJYBYFQJI-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C#N)C(CSC1=NC=2C=C(OC)C=CC2N1)=O