N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-o-toluoyl-isonipecotamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H28N4O2S/c1-17-6-4-5-7-23(17)25(32)30-14-12-20(13-15-30)24(31)29-21-8-10-22(11-9-21)33-26-27-18(2)16-19(3)28-26/h4-11,16,20H,12-15H2,1-3H3,(H,29,31)