N-[2,6-di(propan-2-yl)phenyl]-9-[(5-phenylmethoxy-1,3-benzoxazol-2-yl)sulfanyl]nonanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-9-[(5-phenylmethoxy-1,3-benzoxazol-2-yl)sulfanyl]nonanamide Openeye Name: 9-[(5-benzyloxy-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)nonanamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-9-[(5-phenylmethoxy-1,3-benzoxazol-2-yl)thio]nonanamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-9-[(5-phenylmethoxy-1,3-benzoxazol-2-yl)sulfanyl]nonanamide Traditional Name: 9-[(5-benzoxy-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)pelargonamide Formula: C35H44N2O3S MolecularWeight: 572.80046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCCCCSC2=NC3=C(O2)C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCCCCSC2=NC3=C(O2)C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H44N2O3S/c1-25(2)29-17-14-18-30(26(3)4)34(29)37-33(38)19-12-7-5-6-8-13-22-41-35-36-31-23-28(20-21-32(31)40-35)39-24-27-15-10-9-11-16-27/h9-11,14-18,20-21,23,25-26H,5-8,12-13,19,22,24H2,1-4H3,(H,37,38)