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3-thiazolidinebutanamide, N-(2-benzothiazolyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID 9JmmllE6ib1
InChI InChI=1S/C19H15N3O2S4/c23-16(21-18-20-13-6-1-2-7-14(13)27-18)8-3-9-22-17(24)15(28-19(22)25)11-12-5-4-10-26-12/h1-2,4-7,10-11H,3,8-9H2,(H,20,21,23)/b15-11+
InChIKey XZZBBBRFVYRPOA-RVDMUPIBSA-N
Mol Weight 445.6 g/mol
Molecular Formula C19H15N3O2S4
Exact Mass 445.004711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JAIv3r8RuR
Name 3-Thiazolidinebutanamide, N-(2-benzothiazolyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
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Exact Mass 445.004711429 u
Formula C19H15N3O2S4
InChI InChI=1S/C19H15N3O2S4/c23-16(21-18-20-13-6-1-2-7-14(13)27-18)8-3-9-22-17(24)15(28-19(22)25)11-12-5-4-10-26-12/h1-2,4-7,10-11H,3,8-9H2,(H,20,21,23)/b15-11+
InChIKey XZZBBBRFVYRPOA-RVDMUPIBSA-N
Molecular Weight 445.588 g/mol
SMILES N(C1=NC=2C=CC=CC2S1)C(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O