methyl 3-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[methylamino(methylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N,N'-dimethylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N,N'-dimethylamidino)thio]methyl]benzoic acid methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CNC(=NC)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C12H16N2O2S/c1-13-12(14-2)17-8-9-5-4-6-10(7-9)11(15)16-3/h4-7H,8H2,1-3H3,(H,13,14)