(2R)-3-methyl-2-[(phenylmethyl)carbamothioylamino]butanoate

Systemtic Name: (2R)-3-methyl-2-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: (2R)-2-(benzylcarbamothioylamino)-3-methyl-butanoate CAS Name: (2R)-3-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoate IUPAC Name: (2R)-2-(benzylcarbamothioylamino)-3-methylbutanoate Traditional Name: (2R)-2-(benzylthiocarbamoylamino)-3-methyl-butyrate Formula: C13H17N2O2S- MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O2S/c1-9(2)11(12(16)17)15-13(18)14-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m1/s1