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3-Benzyl-2-(4'-oxo-3'-phenyl-2'-thioxo-1',3'-thiazolidin-5'-ylidene)-tetrahydro-2H-(1,3)-thiazine
SpectraBase Compound ID 3uVbtwW7Irs
InChI InChI=1S/C20H18N2OS3/c23-18-17(26-20(24)22(18)16-10-5-2-6-11-16)19-21(12-7-13-25-19)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2/b19-17+
InChIKey JXCHTOKTKLLOBW-HTXNQAPBSA-N
Mol Weight 398.56 g/mol
Molecular Formula C20H18N2OS3
Exact Mass 398.058127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ld1TB24Pacg
Name 3-Benzyl-2-(4'-oxo-3'-phenyl-2'-thioxo-1',3'-thiazolidin-5'-ylidene)-tetrahydro-2H-(1,3)-thiazine
Alternate Name(s) (5E)-5-(3-benzyltetrahydro-2H-1,3-thiazin-2-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one 3-Benzyl-2-(4'-oxo-3'-phenyl-3'-thioxo-1',3'-thiazolidin-5'-ylidene)-tetrahydro-2H-(1,3)-thiazine
Comments Less than 3 mono-isotopic peaks
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Formula C20H18N2OS3
InChI InChI=1S/C20H18N2OS3/c23-18-17(26-20(24)22(18)16-10-5-2-6-11-16)19-21(12-7-13-25-19)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2/b19-17+
InChIKey JXCHTOKTKLLOBW-HTXNQAPBSA-N
Molecular Weight 398.557 g/mol
SMILES C1(\C(SC(N1c1ccccc1)=S)=C\1N(Cc2ccccc2)CCCS1)=O
SPLASH splash10-0007-9008100000-2a4ec431a84c6544e901
Source of Spectrum D8-323-620-4
Wiley ID 1513794