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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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