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

Systemtic Name: methyl 3-[(N'-cyclopentylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-cyclopentylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(cyclopentylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-cyclopentylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-cyclopentylamidino)thio]methyl]benzoic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC(=NC2CCCC2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC(=NC2CCCC2)N

InChI

InChI=1S/C15H20N2O2S/c1-19-14(18)12-6-4-5-11(9-12)10-20-15(16)17-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,16,17)