3-methyl-2-[(phenylmethyl)carbamothioylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(phenylmethyl)carbamothioylamino]butanoic acid Openeye Name: 2-(benzylcarbamothioylamino)-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 2-(benzylcarbamothioylamino)-3-methylbutanoic acid Traditional Name: 2-(benzylthiocarbamoylamino)-3-methyl-butyric acid Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(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)