methyl 2-[(3-methylphenyl)carbonylcarbamothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(3-methylphenyl)carbonylcarbamothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3-methylbenzoyl)carbamothioylamino]-3-phenyl-propanoate CAS Name: 2-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3-methylbenzoyl)carbamothioylamino]-3-phenylpropanoate Traditional Name: 2-(m-toluoylthiocarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC(CC2=CC=CC=C2)C(=O)OC

InChI

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