7-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]heptanamide

Systemtic Name: 7-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]heptanamide Openeye Name: 7-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]heptanamide CAS Name: 7-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]heptanamide IUPAC Name: 7-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]heptanamide Traditional Name: 7-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]enanthamide Formula: C24H31N3O2S3 MolecularWeight: 489.71684

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)CCCCCCSC2=NC3=CC=CC=C3O2)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)CCCCCCSC2=NC3=CC=CC=C3O2)SCC)C

InChI

InChI=1S/C24H31N3O2S3/c1-4-30-20-16-17(3)25-23(31-5-2)22(20)27-21(28)14-8-6-7-11-15-32-24-26-18-12-9-10-13-19(18)29-24/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3,(H,27,28)