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1-[[(4-furan-2-yl-2,6-dioxo-cyclohexylidenemethyl)-amino]-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioic acid cyclopentylamide
SpectraBase Compound ID 9X9BRhidX8N
InChI InChI=1S/C27H31N3O3S/c31-24-14-19(26-10-5-13-33-26)15-25(32)22(24)16-28-17-23-21-9-4-1-6-18(21)11-12-30(23)27(34)29-20-7-2-3-8-20/h1,4-6,9-10,13,16,19-20,23,28H,2-3,7-8,11-12,14-15,17H2,(H,29,34)/b22-16-
InChIKey DCJYWPLJZNQKNK-JWGURIENSA-N
Mol Weight 477.62 g/mol
Molecular Formula C27H31N3O3S
Exact Mass 477.208613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFZtSfDT1GS
Name 1-[[(4-furan-2-yl-2,6-dioxo-cyclohexylidenemethyl)-amino]-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioic acid cyclopentylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O3S
InChI InChI=1S/C27H31N3O3S/c31-24-14-19(26-10-5-13-33-26)15-25(32)22(24)16-28-17-23-21-9-4-1-6-18(21)11-12-30(23)27(34)29-20-7-2-3-8-20/h1,4-6,9-10,13,16,19-20,23,28H,2-3,7-8,11-12,14-15,17H2,(H,29,34)/b22-16-
InChIKey DCJYWPLJZNQKNK-JWGURIENSA-N
Molecular Weight 477.623 g/mol
SMILES N(C(N1C(CNC=C2C(CC(CC2=O)c2occc2)=O)c2ccccc2CC1)=S)C1CCCC1
SPLASH splash10-00lr-9600000000-d9d090be3c3f376d6e40
Synonyms N-Cyclopentyl-1-[({[4-(2-furyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
Wiley ID 1443913