methyl 3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(phenylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-phenylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-phenylamidino)thio]methyl]benzoic acid methyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC(=NC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC(=NC2=CC=CC=C2)N

InChI

InChI=1S/C16H16N2O2S/c1-20-15(19)13-7-5-6-12(10-13)11-21-16(17)18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H2,17,18)