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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea

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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea
SpectraBase Compound ID I41QUPSTu1x
InChI InChI=1S/C26H20N4OS2/c27-15-20-18-11-5-7-13-23(18)33-25(20)30-26(32)29-24(31)19-14-22(16-8-2-1-3-9-16)28-21-12-6-4-10-17(19)21/h1-4,6,8-10,12,14H,5,7,11,13H2,(H2,29,30,31,32)
InChIKey MHIVRTSBKGDMFA-UHFFFAOYSA-N
Mol Weight 468.59 g/mol
Molecular Formula C26H20N4OS2
Exact Mass 468.107854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Jsdh2jeRSn
Name N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.107853627 u
Formula C26H20N4OS2
InChI InChI=1S/C26H20N4OS2/c27-15-20-18-11-5-7-13-23(18)33-25(20)30-26(32)29-24(31)19-14-22(16-8-2-1-3-9-16)28-21-12-6-4-10-17(19)21/h1-4,6,8-10,12,14H,5,7,11,13H2,(H2,29,30,31,32)
InChIKey MHIVRTSBKGDMFA-UHFFFAOYSA-N
Molecular Weight 468.593 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C#N)C(NC(C=1C=C(C2=CC=CC=C2)N=C2C1C=CC=C2)=O)=S