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N-(2'-Methoxybenzyl)-N'-{1-[N''-methyl-N''-(fluorenylmethylcarbonyl)aminoethenylcarbamoyl]methylthiomethyl}urea
SpectraBase Compound ID 50FhzoiKWeo
InChI InChI=1S/C30H30N4O5S/c1-19(27(35)32-29(40-4)33-28(36)31-17-20-11-5-10-16-26(20)38-3)34(2)30(37)39-18-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h5-16,25H,1,17-18H2,2-4H3,(H2,31,32,33,35,36)
InChIKey DNXKHUXBSIEPOB-UHFFFAOYSA-N
Mol Weight 558.65 g/mol
Molecular Formula C30H30N4O5S
Exact Mass 558.193691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vn0yeYPcpV
Name N-(2'-Methoxybenzyl)-N'-{1-[N''-methyl-N''-(fluorenylmethylcarbonyl)aminoethenylcarbamoyl]methylthiomethyl}urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N4O5S
InChI InChI=1S/C30H30N4O5S/c1-19(27(35)32-29(40-4)33-28(36)31-17-20-11-5-10-16-26(20)38-3)34(2)30(37)39-18-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h5-16,25H,1,17-18H2,2-4H3,(H2,31,32,33,35,36)
InChIKey DNXKHUXBSIEPOB-UHFFFAOYSA-N
Molecular Weight 558.653 g/mol
SMILES N(\C(=N\C(C(N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)C)=C)=O)SC)C(NCc1c(OC)cccc1)=O
SPLASH splash10-004i-0902030000-b823157ff77dd72bcae2
Source of Spectrum SO-0-2129-3
Synonyms N-(2'-Methoxybenzyl)-N'-{1-[N''-methyl-N''-(fluorenylmethyloxycarbonyl)aminoethenylcarbamoyl]methylthiomethyl}urea N-[3-[[(Z)-[[(2-methoxyphenyl)methylamino]-oxomethyl]imino-(methylthio)methyl]amino]-3-oxoprop-1-en-2-yl]-N-methylcarbamic acid 9H-fluoren-9-ylmethyl ester 9H-fluoren-9-ylmethyl N-[3-[[(Z)-N-[(2-methoxyphenyl)methylcarbamoyl]-C-methylsulfanylcarbonimidoyl]amino]-3-oxoprop-1-en-2-yl]-N-methylcarbamate 9H-fluoren-9-ylmethyl N-[1-[[(Z)-N-[(2-methoxyphenyl)methylcarbamoyl]-C-methylsulfanyl-carbonimidoyl]carbamoyl]vinyl]-N-methyl-carbamate 9H-fluoren-9-ylmethyl N-[3-[[(Z)-N-[(2-methoxyphenyl)methylcarbamoyl]-C-methylsulfanyl-carbonimidoyl]amino]-3-oxidanylidene-prop-1-en-2-yl]-N-methyl-carbamate
Wiley ID 878368