N-(1,3-benzodioxol-5-yl)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]isonipecotamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H24N4O4S/c1-13-9-14(2)23-21(22-13)30-11-19(26)25-7-5-15(6-8-25)20(27)24-16-3-4-17-18(10-16)29-12-28-17/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,24,27)