methyl 3-[[N'-[(2S)-butan-2-yl]carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-[(2S)-butan-2-yl]carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[N'-[(1S)-1-methylpropyl]carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 3-[[[amino-[(2S)-butan-2-yl]iminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-[(2S)-butan-2-yl]carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[N'-[(1S)-1-methylpropyl]amidino]thio]methyl]benzoic acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C14H20N2O2S/c1-4-10(2)16-14(15)19-9-11-6-5-7-12(8-11)13(17)18-3/h5-8,10H,4,9H2,1-3H3,(H2,15,16)/t10-/m0/s1