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Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-ethyl-8-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-, 5-oxide
SpectraBase Compound ID FKwwjRYnbDE
InChI InChI=1S/C27H27N3O3S/c1-2-30-23-18-21(12-13-25(23)34(33)24-11-7-6-10-22(24)27(30)32)26(31)29-16-14-28(15-17-29)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3
InChIKey RQJCVGOSLYVUTL-UHFFFAOYSA-N
Mol Weight 473.59 g/mol
Molecular Formula C27H27N3O3S
Exact Mass 473.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SLw86j7iCb
Name Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-ethyl-8-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-, 5-oxide
Alternate Name(s) 5-Ethyl-11-oxo-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-benzo[b][1,4]benzothiazepinone 3-(4-benzylpiperazine-1-carbonyl)-5-ethyl-11-oxobenzo[b][1,4]benzothiazepin-6-one 3-(4-benzylpiperazine-1-carbonyl)-5-ethyl-11-oxo-benzo[b][1,4]benzothiazepin-6-one 5-Ethyl-11-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one
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Formula C27H27N3O3S
InChI InChI=1S/C27H27N3O3S/c1-2-30-23-18-21(12-13-25(23)34(33)24-11-7-6-10-22(24)27(30)32)26(31)29-16-14-28(15-17-29)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3
InChIKey RQJCVGOSLYVUTL-UHFFFAOYSA-N
Molecular Weight 473.591 g/mol
SMILES c1ccc(CN2CCN(C(c3ccc4c(N(CC)C(c5c(S4=O)cccc5)=O)c3)=O)CC2)cc1
SPLASH splash10-0006-9820000000-dacdb627b1cec673f7cd
Source of Spectrum IY-1-4570-2
Wiley ID 1653685