(phenylmethyl) N-[(2S)-1-isothiocyanato-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-isothiocyanato-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-isothiocyanato-ethyl]carbamate CAS Name: N-[(2S)-1-isothiocyanato-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-isothiocyanato-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-isothiocyanato-ethyl]carbamic acid benzyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN=C=S)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CN=C=S)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O2S/c21-18(22-13-16-9-5-2-6-10-16)20-17(12-19-14-23)11-15-7-3-1-4-8-15/h1-10,17H,11-13H2,(H,20,21)/t17-/m0/s1