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

Systemtic Name: methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]sulfanylacetate CAS Name: 2-[[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]sulfanylacetate Traditional Name: 2-[[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]thio]acetic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CSC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H20N4O3S/c1-26-17(24)12-27-16-8-6-15(7-9-16)23-11-10-22(19(23)25)14-4-2-13(3-5-14)18(20)21/h2-9H,10-12H2,1H3,(H3,20,21)