(phenylmethyl) N-[(2S)-1-isothiocyanato-4-methyl-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-isothiocyanato-4-methyl-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(isothiocyanatomethyl)-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-isothiocyanato-4-methylpentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-isothiocyanato-4-methylpentan-2-yl]carbamate Traditional Name: N-[(1S)-1-(isothiocyanatomethyl)-3-methyl-butyl]carbamic acid benzyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2S/c1-12(2)8-14(9-16-11-20)17-15(18)19-10-13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,17,18)/t14-/m0/s1