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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-imidazol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-thioxo-imidazol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylidene-4-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-2-sulfanylideneimidazol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-3-methyl-2-thioxo-4-imidazolin-4-yl]phenyl]propionic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-23-17(14-5-2-13(3-6-14)4-11-18(25)26)12-24(20(23)27)16-9-7-15(8-10-16)19(21)22/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)(H,25,26)