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2-[4'-Oxo-2'-(4-N,N-Dimethylamino)phenylthiazolidinyl]iminomethyl-1,5-benzothia-4(5H)-one
SpectraBase Compound ID 8bQRol3iAdS
InChI InChI=1S/C21H22N4O2S2/c1-24(2)15-9-7-14(8-10-15)21-25(20(27)13-28-21)22-12-16-11-19(26)23-17-5-3-4-6-18(17)29-16/h3-11,21-22H,12-13H2,1-2H3,(H,23,26)
InChIKey VNEFTGCLLVSEQG-UHFFFAOYSA-N
Mol Weight 426.55 g/mol
Molecular Formula C21H22N4O2S2
Exact Mass 426.118418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9onmNUkGaVx
Name 2-[4'-Oxo-2'-(4-N,N-Dimethylamino)phenylthiazolidinyl]iminomethyl-1,5-benzothia-4(5H)-one
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Formula C21H22N4O2S2
InChI InChI=1S/C21H22N4O2S2/c1-24(2)15-9-7-14(8-10-15)21-25(20(27)13-28-21)22-12-16-11-19(26)23-17-5-3-4-6-18(17)29-16/h3-11,21-22H,12-13H2,1-2H3,(H,23,26)
InChIKey VNEFTGCLLVSEQG-UHFFFAOYSA-N
Molecular Weight 426.553 g/mol
SMILES N(N1C(SCC1=O)c1ccc(cc1)N(C)C)CC1=CC(Nc2c(S1)cccc2)=O
SPLASH splash10-0a4i-0290000000-e4c220c8f96f3020f5ff
Source of Spectrum Y1-42-1153-5
Synonyms 2-[[[2-[4-(dimethylamino)phenyl]-4-oxo-3-thiazolidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one 2-[[[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one 2-[[[2-[4-(dimethylamino)phenyl]-4-oxo-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one 2-[[[2-[4-(dimethylamino)phenyl]-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one
Wiley ID 1565215