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N-[2-(4-acetyl-1-piperazinyl)phenyl]-N'-(1-benzofuran-2-ylcarbonyl)thiourea

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N-[2-(4-acetyl-1-piperazinyl)phenyl]-N'-(1-benzofuran-2-ylcarbonyl)thiourea
SpectraBase Compound ID FZ5lHhZPyxr
InChI InChI=1S/C22H22N4O3S/c1-15(27)25-10-12-26(13-11-25)18-8-4-3-7-17(18)23-22(30)24-21(28)20-14-16-6-2-5-9-19(16)29-20/h2-9,14H,10-13H2,1H3,(H2,23,24,28,30)
InChIKey DTDNFRNLMXYTEA-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21QXNlTF1Kg
Name N-[2-(4-Acetyl-1-piperazinyl)phenyl]-N'-(1-benzofuran-2-ylcarbonyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 422.141261755 u
Formula C22H22N4O3S
InChI InChI=1S/C22H22N4O3S/c1-15(27)25-10-12-26(13-11-25)18-8-4-3-7-17(18)23-22(30)24-21(28)20-14-16-6-2-5-9-19(16)29-20/h2-9,14H,10-13H2,1H3,(H2,23,24,28,30)
InChIKey DTDNFRNLMXYTEA-UHFFFAOYSA-N
Molecular Weight 422.503 g/mol
SMILES N(C(C=1OC=2C=CC=CC2C1)=O)C(NC=1C(N2CCN(CC2)C(=O)C)=CC=CC1)=S