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

Systemtic Name: 3-[2-[[3-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-phenyl-propanoic acid Openeye Name: 3-[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[[2-[[[3-(1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid Traditional Name: 3-[[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]thio]-3-phenyl-propionic acid Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)NC4=NC=CN4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)NC4=NC=CN4

InChI

InChI=1S/C25H22N4O3S/c30-23(31)16-22(17-7-2-1-3-8-17)33-21-12-5-4-11-20(21)29-24(32)18-9-6-10-19(15-18)28-25-26-13-14-27-25/h1-15,22H,16H2,(H,29,32)(H,30,31)(H2,26,27,28)