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1-(4-Morpholin-4-ylsulfonylphenyl)-3-(5-oxidanylnaphthalen-1-yl)thiourea

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1-(4-Morpholin-4-ylsulfonylphenyl)-3-(5-oxidanylnaphthalen-1-yl)thiourea
SpectraBase Compound ID 5JFCJOlU7QB
InChI InChI=1S/C21H21N3O4S2/c25-20-6-2-3-17-18(20)4-1-5-19(17)23-21(29)22-15-7-9-16(10-8-15)30(26,27)24-11-13-28-14-12-24/h1-10,25H,11-14H2,(H2,22,23,29)
InChIKey HNOZHGKSVNMIQD-UHFFFAOYSA-N
Mol Weight 443.54 g/mol
Molecular Formula C21H21N3O4S2
Exact Mass 443.097349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lpIYZiLxIT
Name 1-(4-Morpholin-4-ylsulfonylphenyl)-3-(5-oxidanylnaphthalen-1-yl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.097348512 u
Formula C21H21N3O4S2
InChI InChI=1S/C21H21N3O4S2/c25-20-6-2-3-17-18(20)4-1-5-19(17)23-21(29)22-15-7-9-16(10-8-15)30(26,27)24-11-13-28-14-12-24/h1-10,25H,11-14H2,(H2,22,23,29)
InChIKey HNOZHGKSVNMIQD-UHFFFAOYSA-N
Molecular Weight 443.536 g/mol
SMILES C=1C=CC=2C(NC(NC=3C=CC(S(N4CCOCC4)(=O)=O)=CC3)=S)=CC=CC2C1O