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Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl]-10-ethyl-, 5-oxide
SpectraBase Compound ID 5N2xPRqY68R
InChI InChI=1S/C27H26ClN3O3S/c1-3-31-23-16-19(9-11-25(23)35(34)24-7-5-4-6-21(24)27(31)33)26(32)30-14-12-29(13-15-30)22-17-20(28)10-8-18(22)2/h4-11,16-17H,3,12-15H2,1-2H3
InChIKey GXTMBOCJEJNZRP-UHFFFAOYSA-N
Mol Weight 508.04 g/mol
Molecular Formula C27H26ClN3O3S
Exact Mass 507.138341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kbB957stdJ
Name Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl]-10-ethyl-, 5-oxide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26ClN3O3S
InChI InChI=1S/C27H26ClN3O3S/c1-3-31-23-16-19(9-11-25(23)35(34)24-7-5-4-6-21(24)27(31)33)26(32)30-14-12-29(13-15-30)22-17-20(28)10-8-18(22)2/h4-11,16-17H,3,12-15H2,1-2H3
InChIKey GXTMBOCJEJNZRP-UHFFFAOYSA-N
Molecular Weight 508.036 g/mol
SMILES c1ccc2C(=O)N(c3c(S(c2c1)=O)ccc(C(N1CCN(CC1)c1cc(Cl)ccc1C)=O)c3)CC
SPLASH splash10-001i-4910000000-864850e97d52e7faf32d
Source of Spectrum IY-1-4569-9
Synonyms 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-5-ethyl-11-oxo-6-benzo[b][1,4]benzothiazepinone 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-ethyl-11-oxobenzo[b][1,4]benzothiazepin-6-one 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-ethyl-11-oxo-benzo[b][1,4]benzothiazepin-6-one 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-ethyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one
Wiley ID 1653682