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

Systemtic Name: methyl 3-[(N'-propylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-propylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(propylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-propylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-propylamidino)thio]methyl]benzoic acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-3-7-15-13(14)18-9-10-5-4-6-11(8-10)12(16)17-2/h4-6,8H,3,7,9H2,1-2H3,(H2,14,15)