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N'-[4-(dimethylamino)phenyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-phenylethyl)thiourea

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N'-[4-(dimethylamino)phenyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-phenylethyl)thiourea
SpectraBase Compound ID 8Ehbc0xOALE
InChI InChI=1S/C28H30N4O2S/c1-20-9-13-24(14-10-20)32-26(33)19-25(27(32)34)31(18-17-21-7-5-4-6-8-21)28(35)29-22-11-15-23(16-12-22)30(2)3/h4-16,25H,17-19H2,1-3H3,(H,29,35)
InChIKey TXEZIOPWRJLNTP-UHFFFAOYSA-N
Mol Weight 486.63 g/mol
Molecular Formula C28H30N4O2S
Exact Mass 486.208947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1HY1EhAvNP
Name N'-[4-(Dimethylamino)phenyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-phenylethyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.208947394 u
Formula C28H30N4O2S
InChI InChI=1S/C28H30N4O2S/c1-20-9-13-24(14-10-20)32-26(33)19-25(27(32)34)31(18-17-21-7-5-4-6-8-21)28(35)29-22-11-15-23(16-12-22)30(2)3/h4-16,25H,17-19H2,1-3H3,(H,29,35)
InChIKey TXEZIOPWRJLNTP-UHFFFAOYSA-N
Molecular Weight 486.634 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C1=CC=C(C=C1)C)=O)CCC1=CC=CC=C1)=S)C1=CC=C(C=C1)N(C)C