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

Systemtic Name: methyl 3-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[ethylamino(ethylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N,N'-diethylamidino)thio]methyl]benzoic acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CCNC(=NCC)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C14H20N2O2S/c1-4-15-14(16-5-2)19-10-11-7-6-8-12(9-11)13(17)18-3/h6-9H,4-5,10H2,1-3H3,(H,15,16)