methyl 3-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-isopropylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(propan-2-ylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-isopropylamidino)thio]methyl]benzoic acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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