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4-Amino-3-phenyl-N'-(1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylidene)-2-thioxo-2,3-dihydrothiazole-5-carbohydrazide
SpectraBase Compound ID HXKCBDreqtY
InChI InChI=1S/C23H25N5O3S3/c1-16(17-10-12-19(13-11-17)34(30,31)27-14-6-3-7-15-27)25-26-22(29)20-21(24)28(23(32)33-20)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-15,24H2,1H3,(H,26,29)/b25-16+
InChIKey IZOLBQDJTFVEIU-PCLIKHOPSA-N
Mol Weight 515.67 g/mol
Molecular Formula C23H25N5O3S3
Exact Mass 515.111953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YCS1aM7rIB
Name 4-Amino-3-phenyl-N'-(1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylidene)-2-thioxo-2,3-dihydrothiazole-5-carbohydrazide
Alternate Name(s) 4-amino-3-phenyl-N-[(E)-1-[4-(1-piperidinylsulfonyl)phenyl]ethylideneamino]-2-sulfanylidene-5-thiazolecarboxamide 4-amino-3-phenyl-N-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]-2-sulfanylidene-1,3-thiazole-5-carboxamide 4-amino-3-phenyl-N-[(E)-1-[4-(1-piperidylsulfonyl)phenyl]ethylideneamino]-2-thioxo-thiazole-5-carboxamide 4-azanyl-3-phenyl-N-[(E)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]-2-sulfanylidene-1,3-thiazole-5-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C23H25N5O3S3
InChI InChI=1S/C23H25N5O3S3/c1-16(17-10-12-19(13-11-17)34(30,31)27-14-6-3-7-15-27)25-26-22(29)20-21(24)28(23(32)33-20)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-15,24H2,1H3,(H,26,29)/b25-16+
InChIKey IZOLBQDJTFVEIU-PCLIKHOPSA-N
Molecular Weight 515.665 g/mol
SMILES N(\N=C\(c1ccc(S(N2CCCCC2)(=O)=O)cc1)C)C(C1=C(N(C(S1)=S)c1ccccc1)N)=O
SPLASH splash10-0006-9000000000-925165c246528b0e96f2
Source of Spectrum F2-46-140-22
Wiley ID 1690180