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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H18N2O2S/c1-12-5-3-8-15(9-12)19-17(18)22-11-13-6-4-7-14(10-13)16(20)21-2/h3-10H,11H2,1-2H3,(H2,18,19)