ethyl 3-phenyl-2-(pyridin-2-ylcarbamothioylamino)propanoate

Systemtic Name: ethyl 3-phenyl-2-(pyridin-2-ylcarbamothioylamino)propanoate Openeye Name: ethyl 3-phenyl-2-(2-pyridylcarbamothioylamino)propanoate CAS Name: 3-phenyl-2-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-(pyridin-2-ylcarbamothioylamino)propanoate Traditional Name: 3-phenyl-2-(2-pyridylthiocarbamoylamino)propionic acid ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=CC=CC=N2

InChI

InChI=1S/C17H19N3O2S/c1-2-22-16(21)14(12-13-8-4-3-5-9-13)19-17(23)20-15-10-6-7-11-18-15/h3-11,14H,2,12H2,1H3,(H2,18,19,20,23)