3-[3-[[4-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[[4-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[[4-(1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[[4-(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(=CC(=C1)SC(CC(=O)O)C2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)NC4=NC=CN4

Isomeric SMILES

C1=CC(=CC(=C1)SC(CC(=O)O)C2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)NC4=NC=CN4

InChI

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