6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]nonanamide

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]nonanamide Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)nonanamide CAS Name: 6-(1,3-benzoxazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]nonanamide IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]nonanamide Traditional Name: 6-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropylphenyl)pelargonamide Formula: C28H38N2O2S MolecularWeight: 466.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCC(CCCCC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C28H38N2O2S/c1-6-12-21(33-28-29-24-16-8-9-17-25(24)32-28)13-7-10-18-26(31)30-27-22(19(2)3)14-11-15-23(27)20(4)5/h8-9,11,14-17,19-21H,6-7,10,12-13,18H2,1-5H3,(H,30,31)