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N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecyl-propanamide

N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecyl-propanamide

Systemtic Name:N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecyl-propanamide
Openeye Name:N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecyl-propanamide
CAS Name:N-(1,3-benzothiazol-2-ylthio)-N-octadecylpropanamide
IUPAC Name:N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecylpropanamide
Traditional Name:N-(1,3-benzothiazol-2-ylthio)-N-stearyl-propionamide
Formula: C28H46N2OS2
MolecularWeight: 490.80764
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(=O)CC)SC1=NC2=CC=CC=C2S1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(=O)CC)SC1=NC2=CC=CC=C2S1


InChI

InChI=1S/C28H46N2OS2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30(27(31)4-2)33-28-29-25-22-19-20-23-26(25)32-28/h19-20,22-23H,3-18,21,24H2,1-2H3


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