N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H24N4O3S/c1-3-6-15-13-18(25)23-20(22-15)28-14-19(26)24(12-5-11-21)16-7-9-17(10-8-16)27-4-2/h7-10,13H,3-6,12,14H2,1-2H3,(H,22,23,25)