N-[4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]-2,5-diethoxy-phenyl]benzamide

Systemtic Name: N-[4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]-2,5-diethoxy-phenyl]benzamide Openeye Name: N-[4-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-2,5-diethoxy-phenyl]benzamide CAS Name: N-[4-[[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-2,5-diethoxyphenyl]benzamide IUPAC Name: N-[4-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-2,5-diethoxyphenyl]benzamide Traditional Name: N-[4-[[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]amino]-2,5-diethoxy-phenyl]benzamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CSC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CSC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C25H28N4O4S/c1-5-32-21-14-20(29-25(31)18-10-8-7-9-11-18)22(33-6-2)13-19(21)28-23(30)15-34-24-12-16(3)26-17(4)27-24/h7-14H,5-6,15H2,1-4H3,(H,28,30)(H,29,31)