(phenylmethyl) N-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-1-propan-2-ylsulfanyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-1-propan-2-ylsulfanyl-ethyl]carbamate Openeye Name: benzyl N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-isopropylsulfanyl-2-oxo-ethyl]carbamate CAS Name: N-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxo-1-(propan-2-ylthio)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-propan-2-ylsulfanylethyl]carbamate Traditional Name: N-[2-[4-(2-furoyl)piperazino]-1-(isopropylthio)-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c1-16(2)31-19(23-22(28)30-15-17-7-4-3-5-8-17)21(27)25-12-10-24(11-13-25)20(26)18-9-6-14-29-18/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,23,28)