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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-imidazolidin-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-thioxo-imidazolidin-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1-imidazolidinyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylideneimidazolidin-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-thioxo-imidazolidin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S.ClH/c1-26-18(25)11-4-14-2-7-16(8-3-14)23-12-13-24(20(23)27)17-9-5-15(6-10-17)19(21)22;/h2-3,5-10H,4,11-13H2,1H3,(H3,21,22);1H