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

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)carbonylphenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H28N4O3S/c1-3-4-18-13-19(27)25-22(24-18)30-14-20(28)23-17-7-5-16(6-8-17)21(29)26-11-9-15(2)10-12-26/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,23,28)(H,24,25,27)