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5-Benzyl-4-oxo-2,3,4,5,5a,6,7,8,8a,9-decahydrobenzo[1,5]thiazepin-5a-(N-cyclohexylcarboxamide)
SpectraBase Compound ID KWehroYdDcA
InChI InChI=1S/C23H32N2O2S/c26-21-14-16-28-20-13-7-8-15-23(20,22(27)24-19-11-5-2-6-12-19)25(21)17-18-9-3-1-4-10-18/h1,3-4,9-10,19-20H,2,5-8,11-17H2,(H,24,27)/t20-,23-/m1/s1
InChIKey BMAMCVKBLQNHKB-NFBKMPQASA-N
Mol Weight 400.6 g/mol
Molecular Formula C23H32N2O2S
Exact Mass 400.218449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JY0T9LA0Hzj
Name 5-Benzyl-4-oxo-2,3,4,5,5a,6,7,8,8a,9-decahydrobenzo[1,5]thiazepin-5a-(N-cyclohexylcarboxamide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O2S
InChI InChI=1S/C23H32N2O2S/c26-21-14-16-28-20-13-7-8-15-23(20,22(27)24-19-11-5-2-6-12-19)25(21)17-18-9-3-1-4-10-18/h1,3-4,9-10,19-20H,2,5-8,11-17H2,(H,24,27)/t20-,23-/m1/s1
InChIKey BMAMCVKBLQNHKB-NFBKMPQASA-N
Molecular Weight 400.581 g/mol
SMILES N(C([C@@]12N(C(CCS[C@@]2(CCCC1)[H])=O)Cc1ccccc1)=O)C1CCCCC1
SPLASH splash10-0006-9030000000-5a5622ec5480b44c4fa2
Source of Spectrum F-68-3317-6
Synonyms (5aS,9aR)-N-cyclohexyl-4-oxo-5-(phenylmethyl)-3,6,7,8,9,9a-hexahydro-2H-benzo[b][1,4]thiazepine-5a-carboxamide (5aS,9aR)-5-benzyl-N-cyclohexyl-4-oxo-3,6,7,8,9,9a-hexahydro-2H-benzo[b][1,4]thiazepine-5a-carboxamide (5aS,9aR)-N-cyclohexyl-4-oxidanylidene-5-(phenylmethyl)-3,6,7,8,9,9a-hexahydro-2H-benzo[b][1,4]thiazepine-5a-carboxamide
Wiley ID 1572367