methyl 3-[[N'-(2-methylpropyl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-(2-methylpropyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-isobutylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(2-methylpropylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-(2-methylpropyl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-isobutylamidino)thio]methyl]benzoic acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-10(2)8-16-14(15)19-9-11-5-4-6-12(7-11)13(17)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,16)