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

Systemtic Name: N-[3-azanyl-2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-amino-2,6-diisopropyl-phenyl)-2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]acetamide CAS Name: N-[3-amino-2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-[3-amino-2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]acetamide Traditional Name: N-(3-amino-2,6-diisopropyl-phenyl)-2-[4-[2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]thio]ethyl]piperazino]acetamide Formula: C28H36F3N5O2S MolecularWeight: 563.67795

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)N)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC(=C4O3)C(F)(F)F

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)N)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC(=C4O3)C(F)(F)F

InChI

InChI=1S/C28H36F3N5O2S/c1-17(2)19-8-9-21(32)24(18(3)4)25(19)34-23(37)16-36-12-10-35(11-13-36)14-15-39-27-33-22-7-5-6-20(26(22)38-27)28(29,30)31/h5-9,17-18H,10-16,32H2,1-4H3,(H,34,37)