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3-(4-Methylphenylimino)-4-(di-n-propylamino)-2,5-benzothiazocine-1,6-dione
SpectraBase Compound ID FuilOSp9A7c
InChI InChI=1S/C23H25N3O2S/c1-4-14-26(15-5-2)20-22(24-17-12-10-16(3)11-13-17)29-23(28)19-9-7-6-8-18(19)21(27)25-20/h6-13H,4-5,14-15H2,1-3H3/b24-22-,25-20+
InChIKey ILYQUOHSUNLQCF-YWIVNZHWSA-N
Mol Weight 407.53 g/mol
Molecular Formula C23H25N3O2S
Exact Mass 407.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lqyf6FNRAm
Name 3-(4-Methylphenylimino)-4-(di-n-propylamino)-2,5-benzothiazocine-1,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O2S
InChI InChI=1S/C23H25N3O2S/c1-4-14-26(15-5-2)20-22(24-17-12-10-16(3)11-13-17)29-23(28)19-9-7-6-8-18(19)21(27)25-20/h6-13H,4-5,14-15H2,1-3H3/b24-22-,25-20+
InChIKey ILYQUOHSUNLQCF-YWIVNZHWSA-N
Molecular Weight 407.532 g/mol
SMILES C1(S\C(\C(=N/C(c2c1cccc2)=O)N(CCC)CCC)=N\c1ccc(cc1)C)=O
SPLASH splash10-0a4i-0006900000-532d8d8f90eae80bed27
Source of Spectrum F-52-8437-10
Synonyms (3Z)-4-(dipropylamino)-3-[(4-methylphenyl)imino]-1H-2,5-benzothiazocine-1,6(3H)-dione
Wiley ID 797078