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

Systemtic Name: methyl 3-[[N'-(phenylmethyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-benzylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino-(phenylmethyl)iminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-benzylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-benzylamidino)thio]methyl]benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC(=NCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C17H18N2O2S/c1-21-16(20)15-9-5-8-14(10-15)12-22-17(18)19-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H2,18,19)