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

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-(2-ethoxyethoxy)-2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-(2-ethoxyethoxy)-2,6-diisopropyl-phenyl]acetamide CAS Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-[3-(2-ethoxyethoxy)-2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[3-(2-ethoxyethoxy)-2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-[3-(2-ethoxyethoxy)-2,6-diisopropyl-phenyl]acetamide Formula: C31H44N4O4S MolecularWeight: 568.77046

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C(=C(C=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)C(C)C

Isomeric SMILES

CCOCCOC1=C(C(=C(C=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)C(C)C

InChI

InChI=1S/C31H44N4O4S/c1-6-37-18-19-38-27-12-11-24(22(2)3)30(29(27)23(4)5)33-28(36)21-35-15-13-34(14-16-35)17-20-40-31-32-25-9-7-8-10-26(25)39-31/h7-12,22-23H,6,13-21H2,1-5H3,(H,33,36)