| SpectraBase Spectrum ID |
JXl8jpGcTs8 |
| Name |
1-[(2R,3R)-5-Amino-4-cyano-3-(4-methyl-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(4-bromo-phenyl)-urea |
| Alternate Name(s) |
4-Cyano-5-amino-2-[N'-(N''-p-bromophenylaminocarbonyl)aminocarbonyl]-3-(p-tolyl)-2,3-dihydrothiophene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17BrN4O2S |
| InChI |
InChI=1S/C20H17BrN4O2S/c1-11-2-4-12(5-3-11)16-15(10-22)18(23)28-17(16)19(26)25-20(27)24-14-8-6-13(21)7-9-14/h2-9,16-17H,23H2,1H3,(H2,24,25,26,27)/t16-,17-/m1/s1 |
| InChIKey |
VWPBHFMGYIZHBA-IAGOWNOFSA-N |
| Molecular Weight |
457.346 g/mol |
| SMILES |
N(C([C@]1([C@@](C(=C(S1)N)C#N)(c1ccc(cc1)C)[H])[H])=O)C(Nc1ccc(cc1)Br)=O |
| SPLASH |
splash10-0a4i-0000900000-a2138fd38e0a7b10c40c |
| Source of Spectrum |
U1-2009-5251-1h |
| Wiley ID |
1697164 |
![1-[(2R,3R)-5-Amino-4-cyano-3-(4-methyl-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(4-bromo-phenyl)-urea](/api/spectrum/JXl8jpGcTs8/structure.png?h=300&w=458 "1-[(2R,3R)-5-Amino-4-cyano-3-(4-methyl-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(4-bromo-phenyl)-urea")
