3-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 3-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: 3-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]benzoate IUPAC Name: 3-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]benzoate Formula: C19H14N3O3S- MolecularWeight: 364.39776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H15N3O3S/c23-17(22-15-8-4-7-14(9-15)19(24)25)11-26-18-10-16(20-12-21-18)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,22,23)(H,24,25)/p-1