(phenylmethyl) N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propan-2-ylsulfanyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propan-2-ylsulfanyl-ethyl]carbamate Openeye Name: benzyl N-[2-[4-[(E)-cinnamyl]piperazin-1-yl]-1-isopropylsulfanyl-2-oxo-ethyl]carbamate CAS Name: N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-(propan-2-ylthio)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-propan-2-ylsulfanylethyl]carbamate Traditional Name: N-[2-[4-[(E)-cinnamyl]piperazino]-1-(isopropylthio)-2-keto-ethyl]carbamic acid benzyl ester Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3S/c1-21(2)33-24(27-26(31)32-20-23-12-7-4-8-13-23)25(30)29-18-16-28(17-19-29)15-9-14-22-10-5-3-6-11-22/h3-14,21,24H,15-20H2,1-2H3,(H,27,31)/b14-9+