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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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