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1-[(2R,3R)-5-Amino-4-cyano-3-(4-chloro-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(phenyl)-urea
SpectraBase Compound ID 9o8T6WCIEu
InChI InChI=1S/C19H15ClN4O2S/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 DCDVAXJIAHEMTD-HZPDHXFCSA-N
Mol Weight 398.87 g/mol
Molecular Formula C19H15ClN4O2S
Exact Mass 398.060425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdqTrAitlca
Name 1-[(2R,3R)-5-Amino-4-cyano-3-(4-chloro-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 C19H15ClN4O2S
InChI InChI=1S/C19H15ClN4O2S/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 DCDVAXJIAHEMTD-HZPDHXFCSA-N
Molecular Weight 398.868 g/mol
SMILES N(C([C@]1([C@@](C(=C(S1)N)C#N)(c1ccc(cc1)Cl)[H])[H])=O)C(Nc1ccccc1)=O
SPLASH splash10-0002-0009000000-bf6d16e8b70ace3072c4
Source of Spectrum U1-2009-5252-2h
Synonyms 4-Cyano-5-amino-2-[N'-(N''-phenylaminocarbonyl)aminocarbonyl]-3-(p-chlorophenyl)-2,3-dihydrothiophene (2R,3R)-5-amino-N-[anilino(oxo)methyl]-3-(4-chlorophenyl)-4-cyano-2,3-dihydrothiophene-2-carboxamide (2R,3R)-5-azanyl-3-(4-chlorophenyl)-4-cyano-N-(phenylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide
Wiley ID 1697161