8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]octanamide

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]octanamide Openeye Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]octanamide CAS Name: 8-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]octanamide IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]octanamide Traditional Name: 8-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]caprylamide Formula: C25H33N3O2S3 MolecularWeight: 503.74342

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)CCCCCCCSC2=NC3=CC=CC=C3O2)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)CCCCCCCSC2=NC3=CC=CC=C3O2)SCC)C

InChI

InChI=1S/C25H33N3O2S3/c1-4-31-21-17-18(3)26-24(32-5-2)23(21)28-22(29)15-9-7-6-8-12-16-33-25-27-19-13-10-11-14-20(19)30-25/h10-11,13-14,17H,4-9,12,15-16H2,1-3H3,(H,28,29)