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

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-methylsulfanyl-2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-methylsulfanyl-phenyl)acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-[3-(methylthio)-2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-methylsulfanyl-2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-[2,6-diisopropyl-3-(methylthio)phenyl]acetamide Formula: C28H38N4O2S2 MolecularWeight: 526.75692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O2S2/c1-19(2)21-10-11-24(35-5)26(20(3)4)27(21)30-25(33)18-32-14-12-31(13-15-32)16-17-36-28-29-22-8-6-7-9-23(22)34-28/h6-11,19-20H,12-18H2,1-5H3,(H,30,33)