(phenylmethyl) (NE)-N-[methylsulfanyl-(phenylmethoxycarbonylcarbamoylamino)methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[methylsulfanyl-(phenylmethoxycarbonylcarbamoylamino)methylidene]carbamate Openeye Name: benzyl (NE)-N-[(benzyloxycarbonylcarbamoylamino)-methylsulfanyl-methylene]carbamate CAS Name: (NE)-N-[(methylthio)-[[oxo(phenylmethoxycarbonylamino)methyl]amino]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[methylsulfanyl-(phenylmethoxycarbonylcarbamoylamino)methylidene]carbamate Traditional Name: (NE)-N-[(carbobenzoxycarbamoylamino)-(methylthio)methylene]carbamic acid benzyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=O)OCC1=CC=CC=C1)NC(=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS/C(=N/C(=O)OCC1=CC=CC=C1)/NC(=O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H19N3O5S/c1-28-17(22-19(25)27-13-15-10-6-3-7-11-15)20-16(23)21-18(24)26-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,20,21,22,23,24,25)