(phenylmethyl) N-[(1S)-2-isothiocyanato-1-phenyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-2-isothiocyanato-1-phenyl-ethyl]carbamate Openeye Name: benzyl N-[(1S)-2-isothiocyanato-1-phenyl-ethyl]carbamate CAS Name: N-[(1S)-2-isothiocyanato-1-phenylethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-2-isothiocyanato-1-phenylethyl]carbamate Traditional Name: N-[(1S)-2-isothiocyanato-1-phenyl-ethyl]carbamic acid benzyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CN=C=S)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CN=C=S)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2O2S/c20-17(21-12-14-7-3-1-4-8-14)19-16(11-18-13-22)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,19,20)/t16-/m1/s1