1-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]piperidine-4-carboxamide CAS Name: 1-[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoyl]isonipecotamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S/c1-15-18(21(29)25-22(24-15)30-2)8-9-19(27)26-12-10-17(11-13-26)20(28)23-14-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3,(H,23,28)(H,24,25,29)