(phenylmethyl) N-[(2S)-1-isothiocyanato-3-methyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-isothiocyanato-3-methyl-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(isothiocyanatomethyl)-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-isothiocyanato-3-methylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-isothiocyanato-3-methylbutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(isothiocyanatomethyl)-2-methyl-propyl]carbamic acid benzyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN=C=S)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](CN=C=S)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O2S/c1-11(2)13(8-15-10-19)16-14(17)18-9-12-6-4-3-5-7-12/h3-7,11,13H,8-9H2,1-2H3,(H,16,17)/t13-/m1/s1