N-(4-ethoxyphenyl)-4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C21H20N4O4S/c1-2-29-17-9-7-16(8-10-17)24-20(28)14-3-5-15(6-4-14)23-19(27)13-30-21-22-12-11-18(26)25-21/h3-12H,2,13H2,1H3,(H,23,27)(H,24,28)(H,22,25,26)