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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-phenyl-2-sulfanylidene-imidazol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-phenyl-2-thioxo-imidazol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-phenyl-2-sulfanylidene-4-imidazolyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-phenyl-2-sulfanylideneimidazol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-3-phenyl-2-thioxo-4-imidazolin-4-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=CN(C(=S)N2C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=CN(C(=S)N2C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C26H24N4O2S.ClH/c1-32-24(31)16-9-18-7-10-19(11-8-18)23-17-29(21-14-12-20(13-15-21)25(27)28)26(33)30(23)22-5-3-2-4-6-22;/h2-8,10-15,17H,9,16H2,1H3,(H3,27,28);1H