3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoic acid Openeye Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoic acid CAS Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]propanoic acid Traditional Name: 3-[4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]phenyl]propionic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C18H19N3O2S/c22-17(23)10-3-13-1-6-15(7-2-13)24-16-8-4-14(5-9-16)21-18-19-11-12-20-18/h1-2,4-9H,3,10-12H2,(H,22,23)(H2,19,20,21)