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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-imidazol-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-thioxo-imidazol-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-1-imidazolyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylideneimidazol-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[4-(4-amidinophenyl)-3-methyl-2-thioxo-4-imidazolin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN(C1=S)C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN1C(=CN(C1=S)C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H22N4O2S.ClH/c1-24-18(15-6-8-16(9-7-15)20(22)23)13-25(21(24)28)17-10-3-14(4-11-17)5-12-19(26)27-2;/h3-4,6-11,13H,5,12H2,1-2H3,(H3,22,23);1H