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Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-ethyl-8-[(4-methyl-1-piperazinyl)carbonyl]-, 5-oxide
SpectraBase Compound ID EdDUhrbSSr2
InChI InChI=1S/C21H23N3O3S/c1-3-24-17-14-15(20(25)23-12-10-22(2)11-13-23)8-9-19(17)28(27)18-7-5-4-6-16(18)21(24)26/h4-9,14H,3,10-13H2,1-2H3
InChIKey KJHRAPYBRVMQDG-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AoN3U3EmlW
Name Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-ethyl-8-[(4-methyl-1-piperazinyl)carbonyl]-, 5-oxide
Alternate Name(s) 5-Ethyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone 5-Ethyl-3-(4-methylpiperazine-1-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one 5-Ethyl-3-(4-methylpiperazine-1-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one 5-Ethyl-3-(4-methylpiperazin-1-yl)carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one
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Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-3-24-17-14-15(20(25)23-12-10-22(2)11-13-23)8-9-19(17)28(27)18-7-5-4-6-16(18)21(24)26/h4-9,14H,3,10-13H2,1-2H3
InChIKey KJHRAPYBRVMQDG-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
SMILES c1ccc2C(=O)N(c3c(S(c2c1)=O)ccc(C(N1CCN(CC1)C)=O)c3)CC
SPLASH splash10-00di-9100000000-5b5988d92211af5b2804
Source of Spectrum IY-1-4570-1
Wiley ID 1653684