(phenylmethyl) N-[2-oxidanylidene-1-propan-2-ylsulfanyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-1-propan-2-ylsulfanyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]carbamate Openeye Name: benzyl N-[1-isopropylsulfanyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]carbamate CAS Name: N-[2-oxo-1-(propan-2-ylthio)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-oxo-1-propan-2-ylsulfanyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]carbamate Traditional Name: N-[1-(isopropylthio)-2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]carbamic acid benzyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3S/c1-16(2)30-18(24-21(28)29-15-17-7-4-3-5-8-17)19(27)25-11-13-26(14-12-25)20-22-9-6-10-23-20/h3-10,16,18H,11-15H2,1-2H3,(H,24,28)