3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-thioxo-1H-imidazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1H-imidazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-thioxo-4-imidazolin-4-yl]phenyl]propionic acid Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=CN(C(=S)N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O2S/c20-18(21)14-6-8-15(9-7-14)23-11-16(22-19(23)26)13-4-1-12(2-5-13)3-10-17(24)25/h1-2,4-9,11H,3,10H2,(H3,20,21)(H,22,26)(H,24,25)