1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-N-phenyl-isonipecotamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3S/c1-2-6-17-13-18(26)24-21(23-17)29-14-19(27)25-11-9-15(10-12-25)20(28)22-16-7-4-3-5-8-16/h3-5,7-8,13,15H,2,6,9-12,14H2,1H3,(H,22,28)(H,23,24,26)