N-(1,3-benzodioxol-5-yl)-1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyl]isonipecotamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N4O4S/c1-14-18(15(2)25-23(24-14)32-3)5-7-21(28)27-10-8-16(9-11-27)22(29)26-17-4-6-19-20(12-17)31-13-30-19/h4,6,12,16H,5,7-11,13H2,1-3H3,(H,26,29)