methyl 3-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 3-[[[amino-(4-ethoxyphenyl)iminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-p-phenetylamidino)thio]methyl]benzoic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O3S/c1-3-23-16-9-7-15(8-10-16)20-18(19)24-12-13-5-4-6-14(11-13)17(21)22-2/h4-11H,3,12H2,1-2H3,(H2,19,20)