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

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[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-diisopropylphenyl)acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-(2,6-diisopropylphenyl)acetamide Formula: C27H36N4O2S MolecularWeight: 480.66534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O2S/c1-19(2)21-8-7-9-22(20(3)4)26(21)29-25(32)18-31-14-12-30(13-15-31)16-17-34-27-28-23-10-5-6-11-24(23)33-27/h5-11,19-20H,12-18H2,1-4H3,(H,29,32)