2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[4-oxidanyl-2,6-di(propan-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[4-oxidanyl-2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-(4-hydroxy-2,6-diisopropyl-phenyl)acetamide CAS Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1-piperazinyl]-N-[4-hydroxy-2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[4-hydroxy-2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]piperazino]-N-(4-hydroxy-2,6-diisopropyl-phenyl)acetamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3)C(C)C)O

Isomeric SMILES

CC(C)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3)C(C)C)O

InChI

InChI=1S/C28H38N4O3S/c1-19(2)22-16-21(33)17-23(20(3)4)27(22)30-26(34)18-32-13-11-31(12-14-32)10-7-15-36-28-29-24-8-5-6-9-25(24)35-28/h5-6,8-9,16-17,19-20,33H,7,10-15,18H2,1-4H3,(H,30,34)