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2-[(2,3-dimethyl-phenylaminooxothioacetyl)-amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid amide
SpectraBase Compound ID 5pOYtZimqFf
InChI InChI=1S/C20H23N3O2S2/c1-11-7-6-9-14(12(11)2)22-19(26)18(25)23-20-16(17(21)24)13-8-4-3-5-10-15(13)27-20/h6-7,9H,3-5,8,10H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)
InChIKey APFOUJONTZDVRC-UHFFFAOYSA-N
Mol Weight 401.54 g/mol
Molecular Formula C20H23N3O2S2
Exact Mass 401.123169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xgA2i7ibEq
Name 2-[(2,3-dimethyl-phenylaminooxothioacetyl)-amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O2S2
InChI InChI=1S/C20H23N3O2S2/c1-11-7-6-9-14(12(11)2)22-19(26)18(25)23-20-16(17(21)24)13-8-4-3-5-10-15(13)27-20/h6-7,9H,3-5,8,10H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)
InChIKey APFOUJONTZDVRC-UHFFFAOYSA-N
Molecular Weight 401.543 g/mol
SMILES N(C(C(Nc1cccc(c1C)C)=S)=O)c1c(C(N)=O)c2CCCCCc2s1
SPLASH splash10-01w3-3941000000-2e31e4d49c7a3e034d25
Synonyms 2-{[(2,3-dimethylanilino)(thioxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Wiley ID 1454528