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N-[4-(4-acetyl-1-piperazinyl)phenyl]-N'-(4-isopropoxybenzoyl)thiourea

View entire compound with spectra: 2 NMR

N-[4-(4-acetyl-1-piperazinyl)phenyl]-N'-(4-isopropoxybenzoyl)thiourea
SpectraBase Compound ID 69aObLQxTZv
InChI InChI=1S/C23H28N4O3S/c1-16(2)30-21-10-4-18(5-11-21)22(29)25-23(31)24-19-6-8-20(9-7-19)27-14-12-26(13-15-27)17(3)28/h4-11,16H,12-15H2,1-3H3,(H2,24,25,29,31)
InChIKey MLOOPEQJQYWDHD-UHFFFAOYSA-N
Mol Weight 440.56 g/mol
Molecular Formula C23H28N4O3S
Exact Mass 440.188212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AEJgKY3WHG
Name N-[4-(4-Acetyl-1-piperazinyl)phenyl]-N'-(4-isopropoxybenzoyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 440.188211949 u
Formula C23H28N4O3S
InChI InChI=1S/C23H28N4O3S/c1-16(2)30-21-10-4-18(5-11-21)22(29)25-23(31)24-19-6-8-20(9-7-19)27-14-12-26(13-15-27)17(3)28/h4-11,16H,12-15H2,1-3H3,(H2,24,25,29,31)
InChIKey MLOOPEQJQYWDHD-UHFFFAOYSA-N
Molecular Weight 440.562 g/mol
SMILES N(C(NC=1C=CC(N2CCN(CC2)C(=O)C)=CC1)=S)C(C1=CC=C(OC(C)C)C=C1)=O