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N-(4-chlorophenyl)-2-[1-methyl-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(4-chlorophenyl)-2-[1-methyl-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanamide
SpectraBase Compound ID DEiVbevbvXr
InChI InChI=1S/C23H23ClN4O3S/c1-26-22(31)19(13-20(29)25-17-8-6-16(24)7-9-17)28(23(26)32)14-15-4-10-18(11-5-15)27-12-2-3-21(27)30/h4-11,19H,2-3,12-14H2,1H3,(H,25,29)
InChIKey CLLBHEHIEJLKAK-UHFFFAOYSA-N
Mol Weight 470.98 g/mol
Molecular Formula C23H23ClN4O3S
Exact Mass 470.117939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 90FlVlWfj6W
Name N-(4-Chlorophenyl)-2-[1-methyl-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.117939488 u
Formula C23H23ClN4O3S
InChI InChI=1S/C23H23ClN4O3S/c1-26-22(31)19(13-20(29)25-17-8-6-16(24)7-9-17)28(23(26)32)14-15-4-10-18(11-5-15)27-12-2-3-21(27)30/h4-11,19H,2-3,12-14H2,1H3,(H,25,29)
InChIKey CLLBHEHIEJLKAK-UHFFFAOYSA-N
Molecular Weight 470.975 g/mol
SMILES C=1(C=CC(=CC1)NC(=O)CC1C(N(C(N1CC1=CC=C(C=C1)N1CCCC1=O)=S)C)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892152