methyl 3-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(tert-butylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-tert-butylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-tert-butylamidino)thio]methyl]benzoic acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C14H20N2O2S/c1-14(2,3)16-13(15)19-9-10-6-5-7-11(8-10)12(17)18-4/h5-8H,9H2,1-4H3,(H2,15,16)