methyl 3-[[N'-(2,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-(2,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[N'-(2,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 3-[[[amino-(2,5-dimethylphenyl)iminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-(2,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[N'-(2,5-dimethylphenyl)amidino]thio]methyl]benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-12-7-8-13(2)16(9-12)20-18(19)23-11-14-5-4-6-15(10-14)17(21)22-3/h4-10H,11H2,1-3H3,(H2,19,20)