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

Systemtic Name: propyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-12-28-22(27)17-8-10-18(11-9-17)25-20(26)14-29-21-13-19(23-15-24-21)16-6-4-3-5-7-16/h3-11,13,15H,2,12,14H2,1H3,(H,25,26)