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

Systemtic Name: (2R)-2-[(phenylmethyl)carbamothioylamino]butanoate Openeye Name: (2R)-2-(benzylcarbamothioylamino)butanoate CAS Name: (2R)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoate IUPAC Name: (2R)-2-(benzylcarbamothioylamino)butanoate Traditional Name: (2R)-2-(benzylthiocarbamoylamino)butyrate Formula: C12H15N2O2S- MolecularWeight: 251.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-2-10(11(15)16)14-12(17)13-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,15,16)(H2,13,14,17)/p-1/t10-/m1/s1