[4-[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]ethanoylamino]-3,5-di(propan-2-yl)phenyl] ethanoate

Systemtic Name: [4-[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]ethanoylamino]-3,5-di(propan-2-yl)phenyl] ethanoate Openeye Name: [4-[[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]acetyl]amino]-3,5-diisopropyl-phenyl] acetate CAS Name: acetic acid [4-[[2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-1-oxoethyl]amino]-3,5-di(propan-2-yl)phenyl] ester IUPAC Name: [4-[[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]acetyl]amino]-3,5-di(propan-2-yl)phenyl] acetate Traditional Name: acetic acid [4-[[2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]acetyl]amino]-3,5-diisopropyl-phenyl] ester Formula: C29H38N4O4S MolecularWeight: 538.70142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)C(C)C)OC(=O)C

Isomeric SMILES

CC(C)C1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3)C(C)C)OC(=O)C

InChI

InChI=1S/C29H38N4O4S/c1-19(2)23-16-22(36-21(5)34)17-24(20(3)4)28(23)31-27(35)18-33-12-10-32(11-13-33)14-15-38-29-30-25-8-6-7-9-26(25)37-29/h6-9,16-17,19-20H,10-15,18H2,1-5H3,(H,31,35)