(phenylmethyl) N-[[(E)-N-[(2-methylpropan-2-yl)oxycarbonyl]-C-methylsulfanyl-carbonimidoyl]carbamoyl]carbamate

Systemtic Name: (phenylmethyl) N-[[(E)-N-[(2-methylpropan-2-yl)oxycarbonyl]-C-methylsulfanyl-carbonimidoyl]carbamoyl]carbamate Openeye Name: tert-butyl (NE)-N-[(benzyloxycarbonylcarbamoylamino)-methylsulfanyl-methylene]carbamate CAS Name: N-[[[(E)-[(2-methylpropan-2-yl)oxy-oxomethyl]imino-(methylthio)methyl]amino]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[(E)-N-[(2-methylpropan-2-yl)oxycarbonyl]-C-methylsulfanylcarbonimidoyl]carbamoyl]carbamate Traditional Name: N-[[(E)-N-tert-butoxycarbonyl-C-(methylthio)carbonimidoyl]carbamoyl]carbamic acid benzyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(NC(=O)NC(=O)OCC1=CC=CC=C1)SC

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(\NC(=O)NC(=O)OCC1=CC=CC=C1)/SC

InChI

InChI=1S/C16H21N3O5S/c1-16(2,3)24-15(22)19-13(25-4)17-12(20)18-14(21)23-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,17,18,19,20,21,22)