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Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-ethyl-8-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl]-, 5-oxide
SpectraBase Compound ID 5uidHW3G0u8
InChI InChI=1S/C28H29N3O3S/c1-4-30-24-17-21(12-13-26(24)35(34)25-11-6-5-10-23(25)28(30)33)27(32)29-14-15-31(20(3)18-29)22-9-7-8-19(2)16-22/h5-13,16-17,20H,4,14-15,18H2,1-3H3
InChIKey YBXJXYAGIYZEGP-UHFFFAOYSA-N
Mol Weight 487.62 g/mol
Molecular Formula C28H29N3O3S
Exact Mass 487.192963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXiDEIbjOKn
Name Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-ethyl-8-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl]-, 5-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N3O3S
InChI InChI=1S/C28H29N3O3S/c1-4-30-24-17-21(12-13-26(24)35(34)25-11-6-5-10-23(25)28(30)33)27(32)29-14-15-31(20(3)18-29)22-9-7-8-19(2)16-22/h5-13,16-17,20H,4,14-15,18H2,1-3H3
InChIKey YBXJXYAGIYZEGP-UHFFFAOYSA-N
Molecular Weight 487.618 g/mol
SMILES c1ccc2C(=O)N(c3c(S(c2c1)=O)ccc(C(N1CC(C)N(CC1)c1cc(C)ccc1)=O)c3)CC
SPLASH splash10-03dj-3910000000-30eff50c0cedd972f8e5
Source of Spectrum IY-1-4570-0
Synonyms 5-Ethyl-3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone 5-Ethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one 5-Ethyl-3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one 5-Ethyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one
Wiley ID 1653683