![2-(5-Acetyl-4-amino-2-[phenylamino]thiophene-3-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide](/api/spectrum/1o6uRKnCMa/structure.png?h=300&w=458 "2-(5-Acetyl-4-amino-2-[phenylamino]thiophene-3-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide")
| SpectraBase Compound ID | H0hAqoVrVXA |
|---|---|
| InChI | InChI=1S/C23H24N4O3S2/c1-12(28)19-18(24)17(23(32-19)26-13-8-4-2-5-9-13)21(30)27-22-16(20(25)29)14-10-6-3-7-11-15(14)31-22/h2,4-5,8-9,26H,3,6-7,10-11,24H2,1H3,(H2,25,29)(H,27,30) |
| InChIKey | ZGAJGVAGSFJAKR-UHFFFAOYSA-N |
| Mol Weight | 468.59 g/mol |
| Molecular Formula | C23H24N4O3S2 |
| Exact Mass | 468.128983 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1o6uRKnCMa |
|---|---|
| Name | 2-(5-Acetyl-4-amino-2-[phenylamino]thiophene-3-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Appearance | Pale yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H24N4O3S2 |
| InChI | InChI=1S/C23H24N4O3S2/c1-12(28)19-18(24)17(23(32-19)26-13-8-4-2-5-9-13)21(30)27-22-16(20(25)29)14-10-6-3-7-11-15(14)31-22/h2,4-5,8-9,26H,3,6-7,10-11,24H2,1H3,(H2,25,29)(H,27,30) |
| InChIKey | ZGAJGVAGSFJAKR-UHFFFAOYSA-N |
| Instrument Name | Kratos MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.4085 |
| Molecular Weight | 468.590 g/mol |
| SMILES | NC(c1c2CCCCCc2sc1NC(c1c(c(sc1Nc1ccccc1)C(=O)C)N)=O)=O |
| SPLASH | splash10-0006-0900000000-8d9ed434b37930955e69 |
| Source of Spectrum | Y-57-3671-20a |
| Wiley ID | 1859857 |