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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-phenyl-2-sulfanylidene-imidazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-phenyl-2-thioxo-imidazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-phenyl-2-sulfanylidene-1-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-phenyl-2-sulfanylideneimidazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-3-phenyl-2-thioxo-4-imidazolin-1-yl]phenyl]propionic acid methyl ester Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=C(N(C2=S)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=C(N(C2=S)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

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