methyl 4-(1-phenylethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(1-phenylethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(1-phenylethylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1-phenylethylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(1-phenylethylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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