N-[4-[2-(6-oxidanyl-4-oxidanylidene-1-propyl-pyrimidin-2-yl)sulfanylethanoyl]phenyl]benzamide

Systemtic Name: N-[4-[2-(6-oxidanyl-4-oxidanylidene-1-propyl-pyrimidin-2-yl)sulfanylethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-(6-hydroxy-4-oxo-1-propyl-pyrimidin-2-yl)sulfanylacetyl]phenyl]benzamide CAS Name: N-[4-[2-[(6-hydroxy-4-oxo-1-propyl-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-(6-hydroxy-4-oxo-1-propylpyrimidin-2-yl)sulfanylacetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(6-hydroxy-4-keto-1-propyl-pyrimidin-2-yl)thio]acetyl]phenyl]benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H21N3O4S/c1-2-12-25-20(28)13-19(27)24-22(25)30-14-18(26)15-8-10-17(11-9-15)23-21(29)16-6-4-3-5-7-16/h3-11,13,28H,2,12,14H2,1H3,(H,23,29)