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3-(2',6'-Dioxopiperidin-1'-yl)-5-{(2'-phenyl-1',3'-thiazol-4'-yl)methylene}-2-thioxothiazolidin-4-one
SpectraBase Compound ID 5emSwkc1qlC
InChI InChI=1S/C18H13N3O3S3/c22-14-7-4-8-15(23)20(14)21-17(24)13(27-18(21)25)9-12-10-26-16(19-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2/b13-9+
InChIKey AYFSJTMSGVWVQC-UKTHLTGXSA-N
Mol Weight 415.5 g/mol
Molecular Formula C18H13N3O3S3
Exact Mass 415.011905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41dgUCkSYlH
Name 3-(2',6'-Dioxopiperidin-1'-yl)-5-{(2'-phenyl-1',3'-thiazol-4'-yl)methylene}-2-thioxothiazolidin-4-one
Alternate Name(s) 1-{(5E)-4-oxo-5-[(2-phenyl-1,3-thiazol-4-yl)methylene]-2-thioxo-1,3-thiazolidin-3-yl}-2,6-piperidinedione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O3S3
InChI InChI=1S/C18H13N3O3S3/c22-14-7-4-8-15(23)20(14)21-17(24)13(27-18(21)25)9-12-10-26-16(19-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2/b13-9+
InChIKey AYFSJTMSGVWVQC-UKTHLTGXSA-N
Molecular Weight 415.500 g/mol
SMILES C1(N(C(\C(S1)=C/c1nc(-c2ccccc2)sc1)=O)N1C(=O)CCCC1=O)=S
SPLASH splash10-014i-0090100000-1ac85f8f197f7b90f045
Source of Spectrum Y-33-1146-10
Wiley ID 1375892