(phenylmethyl) N-[2-[3-(3-nitrophenoxy)propylamino]-2-oxidanylidene-1-propan-2-ylsulfanyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[3-(3-nitrophenoxy)propylamino]-2-oxidanylidene-1-propan-2-ylsulfanyl-ethyl]carbamate Openeye Name: benzyl N-[1-isopropylsulfanyl-2-[3-(3-nitrophenoxy)propylamino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[3-(3-nitrophenoxy)propylamino]-2-oxo-1-(propan-2-ylthio)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[3-(3-nitrophenoxy)propylamino]-2-oxo-1-propan-2-ylsulfanylethyl]carbamate Traditional Name: N-[1-(isopropylthio)-2-keto-2-[3-(3-nitrophenoxy)propylamino]ethyl]carbamic acid benzyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)NCCCOC1=CC=CC(=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)SC(C(=O)NCCCOC1=CC=CC(=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6S/c1-16(2)32-21(24-22(27)31-15-17-8-4-3-5-9-17)20(26)23-12-7-13-30-19-11-6-10-18(14-19)25(28)29/h3-6,8-11,14,16,21H,7,12-13,15H2,1-2H3,(H,23,26)(H,24,27)