3-phenyl-3-[6-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-phenyl-3-[6-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzimidazol-1-yl]propanoic acid Openeye Name: 3-phenyl-3-[6-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzimidazol-1-yl]propanoic acid CAS Name: 3-[6-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[6-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzimidazol-1-yl]propanoic acid Traditional Name: 3-phenyl-3-[6-[[2-(phenylthio)nicotinoyl]amino]benzimidazol-1-yl]propionic acid Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3S/c33-26(34)17-24(19-8-3-1-4-9-19)32-18-30-23-14-13-20(16-25(23)32)31-27(35)22-12-7-15-29-28(22)36-21-10-5-2-6-11-21/h1-16,18,24H,17H2,(H,31,35)(H,33,34)