8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]octanamide

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]octanamide Openeye Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)octanamide CAS Name: 8-(1,3-benzoxazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]octanamide IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]octanamide Traditional Name: 8-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropylphenyl)caprylamide Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCCCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCCCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C27H36N2O2S/c1-19(2)21-13-12-14-22(20(3)4)26(21)29-25(30)17-8-6-5-7-11-18-32-27-28-23-15-9-10-16-24(23)31-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,29,30)