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3-(2-Adamantan-1-yl-ethyl)-2-(4-chloro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid (2-chloro-phenyl)-amide
SpectraBase Compound ID 1s48pIN0Lyj
InChI InChI=1S/C29H31Cl2N3O2S/c30-21-5-7-22(8-6-21)32-28-34(10-9-29-15-18-11-19(16-29)13-20(12-18)17-29)26(35)14-25(37-28)27(36)33-24-4-2-1-3-23(24)31/h1-8,18-20,25H,9-17H2,(H,33,36)/b32-28+/t18-,19+,20-,25?,29+
InChIKey ZFRPTFCGPZKBNQ-FAKAVRLTSA-N
Mol Weight 556.55 g/mol
Molecular Formula C29H31Cl2N3O2S
Exact Mass 555.151404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqOaDhfLZ5T
Name 3-(2-Adamantan-1-yl-ethyl)-2-(4-chloro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid (2-chloro-phenyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31Cl2N3O2S
InChI InChI=1S/C29H31Cl2N3O2S/c30-21-5-7-22(8-6-21)32-28-34(10-9-29-15-18-11-19(16-29)13-20(12-18)17-29)26(35)14-25(37-28)27(36)33-24-4-2-1-3-23(24)31/h1-8,18-20,25H,9-17H2,(H,33,36)/b32-28+/t18-,19+,20-,25?,29+
InChIKey ZFRPTFCGPZKBNQ-FAKAVRLTSA-N
Molecular Weight 556.552 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(cc1)Cl)CCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)=O)c1c(Cl)cccc1
SPLASH splash10-054x-9520000000-e08630aabbece5f0611d
Synonyms (2E)-3-[2-(1-adamantyl)ethyl]-N-(2-chlorophenyl)-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide 3-[2-(1-adamantyl)ethyl]-N-(2-chlorophenyl)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Wiley ID 1464921