methyl 3-[[N'-(3-methylbutyl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-(3-methylbutyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-isopentylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(3-methylbutylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-(3-methylbutyl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-isoamylamidino)thio]methyl]benzoic acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-11(2)7-8-17-15(16)20-10-12-5-4-6-13(9-12)14(18)19-3/h4-6,9,11H,7-8,10H2,1-3H3,(H2,16,17)