ethyl 3-[(phenylmethyl)-(3-phenylpropanoylcarbamothioyl)amino]propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)-(3-phenylpropanoylcarbamothioyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(3-phenylpropanoylcarbamothioyl)amino]propanoate CAS Name: 3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(3-phenylpropanoylcarbamothioyl)amino]propanoate Traditional Name: 3-[benzyl(hydrocinnamoylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-2-27-21(26)15-16-24(17-19-11-7-4-8-12-19)22(28)23-20(25)14-13-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,25,28)