methyl 3-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(phenethylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-phenethylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-phenethylamidino)thio]methyl]benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC(=NCCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC(=NCCC2=CC=CC=C2)N

InChI

InChI=1S/C18H20N2O2S/c1-22-17(21)16-9-5-8-15(12-16)13-23-18(19)20-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,19,20)