6-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanyl-pyridin-3-yl)hexanamide

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanyl-pyridin-3-yl)hexanamide Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanyl-3-pyridyl)hexanamide CAS Name: 6-(1,3-benzoxazol-2-ylthio)-N-[4-methyl-2-(methylthio)-3-pyridinyl]hexanamide IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-methylsulfanylpyridin-3-yl)hexanamide Traditional Name: 6-(1,3-benzoxazol-2-ylthio)-N-[4-methyl-2-(methylthio)-3-pyridyl]hexanamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)SC)NC(=O)CCCCCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=NC=C1)SC)NC(=O)CCCCCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H23N3O2S2/c1-14-11-12-21-19(26-2)18(14)23-17(24)10-4-3-7-13-27-20-22-15-8-5-6-9-16(15)25-20/h5-6,8-9,11-12H,3-4,7,10,13H2,1-2H3,(H,23,24)