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N-2-[3-(N'-Acetyl-N-allylamino)-2-bromophenyl]ethenyl-N-methyl-2'-(phenylthiomethyl)-3'-phenylsulphenyl-2-propenamide
SpectraBase Compound ID HTYi2BdTvIi
InChI InChI=1S/C30H29BrN2O2S2/c1-4-19-33(23(2)34)28-17-11-12-24(29(28)31)18-20-32(3)30(35)25(21-36-26-13-7-5-8-14-26)22-37-27-15-9-6-10-16-27/h4-18,20-21H,1,19,22H2,2-3H3/b20-18+,25-21+
InChIKey KVBOCGUGWVHTPN-ULNNAXRKSA-N
Mol Weight 593.6 g/mol
Molecular Formula C30H29BrN2O2S2
Exact Mass 592.085384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMpBCvZFS13
Name N-2-[3-(N'-Acetyl-N-allylamino)-2-bromophenyl]ethenyl-N-methyl-2'-(phenylthiomethyl)-3'-phenylsulphenyl-2-propenamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29BrN2O2S2
InChI InChI=1S/C30H29BrN2O2S2/c1-4-19-33(23(2)34)28-17-11-12-24(29(28)31)18-20-32(3)30(35)25(21-36-26-13-7-5-8-14-26)22-37-27-15-9-6-10-16-27/h4-18,20-21H,1,19,22H2,2-3H3/b20-18+,25-21+
InChIKey KVBOCGUGWVHTPN-ULNNAXRKSA-N
Molecular Weight 593.598 g/mol
SMILES C(\C(=C\Sc1ccccc1)CSc1ccccc1)(N(\C=C\c1c(c(N(C(=O)C)CC=C)ccc1)Br)C)=O
SPLASH splash10-004j-0900000000-ba0d510a2dcc6d9211de
Source of Spectrum F-50-2201-45
Synonyms (2Z)-N-((E)-2-{3-[acetyl(allyl)amino]-2-bromophenyl}ethenyl)-N-methyl-3-(phenylsulfanyl)-2-[(phenylsulfanyl)methyl]-2-propenamide
Wiley ID 1409469