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

Systemtic Name: 3-[4-[[4-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[[[4-(1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[[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(=CN=C1)C(CC(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=NC=CN4

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=NC=CN4

InChI

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