ethyl 3-[2-methylpropanoylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-methylpropanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(2-methylpropanoylcarbamothioyl)amino]propanoate CAS Name: 3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(2-methylpropanoylcarbamothioyl)amino]propanoate Traditional Name: 3-[benzyl(isobutyrylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C(C)C

InChI

InChI=1S/C17H24N2O3S/c1-4-22-15(20)10-11-19(12-14-8-6-5-7-9-14)17(23)18-16(21)13(2)3/h5-9,13H,4,10-12H2,1-3H3,(H,18,21,23)