methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate

Systemtic Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate Openeye Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanyl-phenyl]-2-oxo-imidazolidin-1-yl]propanoate CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methylthio)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-methylsulfanylphenyl]-2-oxoimidazolidin-1-yl]propanoate Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-(methylthio)phenyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)SC

Isomeric SMILES

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)SC

InChI

InChI=1S/C21H24N4O3S/c1-28-19(26)9-10-24-11-12-25(21(24)27)17-8-7-16(13-18(17)29-2)14-3-5-15(6-4-14)20(22)23/h3-8,13H,9-12H2,1-2H3,(H3,22,23)