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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfanyl-phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methylsulfanyl-phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-(methylthio)phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methylsulfanylphenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-(methylthio)phenyl]propionic acid methyl ester hydrochloride Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)SC.Cl

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)SC.Cl

InChI

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