methyl 3-phenyl-2-(phenylcarbonylcarbamothioylamino)propanoate

Systemtic Name: methyl 3-phenyl-2-(phenylcarbonylcarbamothioylamino)propanoate Openeye Name: methyl 2-(benzoylcarbamothioylamino)-3-phenyl-propanoate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(benzoylcarbamothioylamino)-3-phenylpropanoate Traditional Name: 2-(benzoylthiocarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-23-17(22)15(12-13-8-4-2-5-9-13)19-18(24)20-16(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H2,19,20,21,24)