propyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-3-13-29-23(28)18-9-11-19(12-10-18)26-21(27)15-30-22-14-20(24-16(2)25-22)17-7-5-4-6-8-17/h4-12,14H,3,13,15H2,1-2H3,(H,26,27)