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

Systemtic Name: 3-[3-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-phenyl-propanoic acid Openeye Name: 3-[3-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[[3-[[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[3-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid Traditional Name: 3-[[3-[[4-(2-imidazolin-2-ylamino)benzoyl]amino]phenyl]thio]-3-phenyl-propionic acid Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c30-23(31)16-22(17-5-2-1-3-6-17)33-21-8-4-7-20(15-21)28-24(32)18-9-11-19(12-10-18)29-25-26-13-14-27-25/h1-12,15,22H,13-14,16H2,(H,28,32)(H,30,31)(H2,26,27,29)