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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(N(C1=S)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCN1C=C(N(C1=S)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

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