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

Systemtic Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfanyl-benzoate Openeye Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methylsulfanyl-benzoate CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methylsulfanylbenzoate Traditional Name: 4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-(methylthio)benzoic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-26-18(24)13-5-8-15(16(11-13)27-2)23-10-9-22(19(23)25)14-6-3-12(4-7-14)17(20)21/h3-8,11H,9-10H2,1-2H3,(H3,20,21)