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

Systemtic Name: 3-[2-[[3-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[3-(1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CN3)SC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CN3)SC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O3S/c30-22(31)14-21(17-6-4-10-25-15-17)33-20-9-2-1-8-19(20)29-23(32)16-5-3-7-18(13-16)28-24-26-11-12-27-24/h1-13,15,21H,14H2,(H,29,32)(H,30,31)(H2,26,27,28)