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4H-cyclohepta[b]thiophene-3-carboxamide, 5,6,7,8-tetrahydro-2-[(2-methylbenzoyl)amino]-N-(3-pyridinylmethyl)-
SpectraBase Compound ID HyNud7IifxY
InChI InChI=1S/C24H25N3O2S/c1-16-8-5-6-10-18(16)22(28)27-24-21(19-11-3-2-4-12-20(19)30-24)23(29)26-15-17-9-7-13-25-14-17/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,26,29)(H,27,28)
InChIKey GUBOEUCFZMVLBJ-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C24H25N3O2S
Exact Mass 419.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fZW6y4FuWU
Name 2-(2-Methyl-benzoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25N3O2S
InChI InChI=1S/C24H25N3O2S/c1-16-8-5-6-10-18(16)22(28)27-24-21(19-11-3-2-4-12-20(19)30-24)23(29)26-15-17-9-7-13-25-14-17/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,26,29)(H,27,28)
InChIKey GUBOEUCFZMVLBJ-UHFFFAOYSA-N
Molecular Weight 419.543 g/mol
SMILES N(C(c1c(sc2CCCCCc12)NC(c1c(C)cccc1)=O)=O)Cc1cnccc1
SPLASH splash10-014i-6900000000-5b106061b69836e018c3
Synonyms 2-(o-toluoylamino)-N-(3-pyridylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide 2-[(2-Methylbenzoyl)amino]-N-(3-pyridinylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide 2-[(2-methylbenzoyl)amino]-N-(3-pyridylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide 2-[(2-methylbenzoyl)amino]-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide 2-[(2-methylphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide 2-[[(2-methylphenyl)-oxomethyl]amino]-N-(3-pyridinylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Wiley ID 1461433