| SpectraBase Spectrum ID |
1CyBPl8OwSA |
| Name |
1-[(2R,3R)-5-Amino-4-cyano-3-(4-bromo-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(phenyl)-urea |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H15BrN4O2S |
| InChI |
InChI=1S/C19H15BrN4O2S/c20-12-8-6-11(7-9-12)15-14(10-21)17(22)27-16(15)18(25)24-19(26)23-13-4-2-1-3-5-13/h1-9,15-16H,22H2,(H2,23,24,25,26)/t15-,16-/m1/s1 |
| InChIKey |
APZOQQNJXJRQJR-HZPDHXFCSA-N |
| Molecular Weight |
443.319 g/mol |
| SMILES |
N(C([C@]1([C@@](C(=C(S1)N)C#N)(c1ccc(cc1)Br)[H])[H])=O)C(Nc1ccccc1)=O |
| SPLASH |
splash10-0006-0000900000-012b6e22921e8147a03e |
| Source of Spectrum |
U1-2009-5252-2i |
| Synonyms |
4-Cyano-5-amino-2-[N'-(N''-phenylaminocarbonyl)aminocarbonyl]-3-(p-bromophenyl)-2,3-dihydrothiophene
(2R,3R)-5-amino-N-[anilino(oxo)methyl]-3-(4-bromophenyl)-4-cyano-2,3-dihydrothiophene-2-carboxamide
(2R,3R)-5-azanyl-3-(4-bromophenyl)-4-cyano-N-(phenylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide |
| Wiley ID |
1697160 |
![1-[(2R,3R)-5-Amino-4-cyano-3-(4-bromo-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(phenyl)-urea](/api/spectrum/1CyBPl8OwSA/structure.png?h=300&w=458 "1-[(2R,3R)-5-Amino-4-cyano-3-(4-bromo-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(phenyl)-urea")
