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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-thioxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylidene-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-sulfanylideneimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-thioxo-imidazolidin-1-yl]phenyl]propionic acid Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=S)N1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H20N4O2S/c20-18(21)14-4-8-16(9-5-14)23-12-11-22(19(23)26)15-6-1-13(2-7-15)3-10-17(24)25/h1-2,4-9H,3,10-12H2,(H3,20,21)(H,24,25)