methyl 3-(1-phenylethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(1-phenylethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(1-phenylethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1-phenylethylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(1-phenylethylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-12(13-7-4-3-5-8-13)19-18(24)20-16(21)14-9-6-10-15(11-14)17(22)23-2/h3-12H,1-2H3,(H2,19,20,21,24)