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1-(N-butyl-N-(2-benzothiazolyl)carbamoyl)-2-(N-butyl-N-(2-benzothiazoly)amino)ethane

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1-(N-butyl-N-(2-benzothiazolyl)carbamoyl)-2-(N-butyl-N-(2-benzothiazoly)amino)ethane
SpectraBase Compound ID Cc67sDPmbCA
InChI InChI=1S/C25H30N4OS2/c1-3-5-16-28(24-26-19-11-7-9-13-21(19)31-24)18-15-23(30)29(17-6-4-2)25-27-20-12-8-10-14-22(20)32-25/h7-14H,3-6,15-18H2,1-2H3
InChIKey QJOJBOVJALLAQS-UHFFFAOYSA-N
Mol Weight 466.66 g/mol
Molecular Formula C25H30N4OS2
Exact Mass 466.186104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dFPQxps7X5
Name 1-(N-Butyl-N-(2-benzothiazolyl)carbamoyl)-2-(N-butyl-N-(2-benzothiazoly)amino)ethane
Comments Computed using HOSE algorithm
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Exact Mass 466.186103949 u
Formula C25H30N4OS2
InChI InChI=1S/C25H30N4OS2/c1-3-5-16-28(24-26-19-11-7-9-13-21(19)31-24)18-15-23(30)29(17-6-4-2)25-27-20-12-8-10-14-22(20)32-25/h7-14H,3-6,15-18H2,1-2H3
InChIKey QJOJBOVJALLAQS-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES C1(=NC=2C=CC=CC2S1)N(C(CCN(C1=NC=2C=CC=CC2S1)CCCC)=O)CCCC