| SpectraBase Spectrum ID |
GRaziCzRg76 |
| Name |
1-[(2R,3R)-5-Amino-4-cyano-3-(4-methoxy-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(2-dichloro-phenyl)-urea |
| Alternate Name(s) |
4-Cyano-5-amino-2-[N'-(N''-2''-chlorophenylaminocarbonyl)aminocarbonyl]-3-(p-methoxyphenyl)-2,3-dihydrothiophene
(2R,3R)-5-amino-N-[(2-chloroanilino)-oxomethyl]-4-cyano-3-(4-methoxyphenyl)-2,3-dihydrothiophene-2-carboxamide
(2R,3R)-5-azanyl-N-[(2-chlorophenyl)carbamoyl]-4-cyano-3-(4-methoxyphenyl)-2,3-dihydrothiophene-2-carboxamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17ClN4O3S |
| InChI |
InChI=1S/C20H17ClN4O3S/c1-28-12-8-6-11(7-9-12)16-13(10-22)18(23)29-17(16)19(26)25-20(27)24-15-5-3-2-4-14(15)21/h2-9,16-17H,23H2,1H3,(H2,24,25,26,27)/t16-,17-/m1/s1 |
| InChIKey |
DNAMFOVPWBZTOP-IAGOWNOFSA-N |
| Molecular Weight |
428.894 g/mol |
| SMILES |
N(C([C@]1([C@@](C(=C(S1)N)C#N)(c1ccc(cc1)OC)[H])[H])=O)C(Nc1c(Cl)cccc1)=O |
| SPLASH |
splash10-004i-0000900000-1af3b0ac439edba85dce |
| Source of Spectrum |
U1-2009-5252-2k |
| Wiley ID |
1697159 |
![1-[(2R,3R)-5-Amino-4-cyano-3-(4-methoxy-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(2-dichloro-phenyl)-urea](/api/spectrum/GRaziCzRg76/structure.png?h=300&w=458 "1-[(2R,3R)-5-Amino-4-cyano-3-(4-methoxy-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(2-dichloro-phenyl)-urea")
