N-[2,6-di(propan-2-yl)phenyl]-2-[4-[3-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]propyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[3-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]propyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[4-[3-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]propyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[3-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]thio]propyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[3-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]propyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[4-[3-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]thio]propyl]-1,4-diazepan-1-yl]acetamide Formula: C30H39F3N4O2S MolecularWeight: 576.71647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCCN(CC2)CCCSC3=NC4=CC=CC(=C4O3)C(F)(F)F

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCCN(CC2)CCCSC3=NC4=CC=CC(=C4O3)C(F)(F)F

InChI

InChI=1S/C30H39F3N4O2S/c1-20(2)22-9-5-10-23(21(3)4)27(22)35-26(38)19-37-14-7-13-36(16-17-37)15-8-18-40-29-34-25-12-6-11-24(28(25)39-29)30(31,32)33/h5-6,9-12,20-21H,7-8,13-19H2,1-4H3,(H,35,38)