(phenylmethyl) 2-[(4-methylphenyl)carbonylcarbamothioylamino]propanoate

Systemtic Name: (phenylmethyl) 2-[(4-methylphenyl)carbonylcarbamothioylamino]propanoate Openeye Name: benzyl 2-[(4-methylbenzoyl)carbamothioylamino]propanoate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methylbenzoyl)carbamothioylamino]propanoate Traditional Name: 2-(p-toluoylthiocarbamoylamino)propionic acid benzyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O3S/c1-13-8-10-16(11-9-13)17(22)21-19(25)20-14(2)18(23)24-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,20,21,22,25)