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

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(2-benzoylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(2-benzoylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-benzoylphenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-8-16-13-19(26)25-22(23-16)29-14-20(27)24-18-12-7-6-11-17(18)21(28)15-9-4-3-5-10-15/h3-7,9-13H,2,8,14H2,1H3,(H,24,27)(H,23,25,26)