3-[4-[3-(4-carbamimidoyl-2-methylsulfanyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoyl-2-methylsulfanyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoyl-2-methylsulfanyl-phenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-[4-carbamimidoyl-2-(methylthio)phenyl]-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoyl-2-methylsulfanylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[4-amidino-2-(methylthio)phenyl]-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(=N)N)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C(=N)N)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H22N4O3S/c1-28-17-12-14(19(21)22)5-8-16(17)24-11-10-23(20(24)27)15-6-2-13(3-7-15)4-9-18(25)26/h2-3,5-8,12H,4,9-11H2,1H3,(H3,21,22)(H,25,26)