(phenylmethyl) N-[2-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylamino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[1-[2-(2-furfurylthio)acetyl]pentylamino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-2-3-11-19(20(25)16-30-15-18-10-7-12-28-18)24-21(26)13-23-22(27)29-14-17-8-5-4-6-9-17/h4-10,12,19H,2-3,11,13-16H2,1H3,(H,23,27)(H,24,26)