(3S)-N3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N1-phenyl-piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N1-phenyl-piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N1-phenyl-piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-N1-phenylpiperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-N-phenylpiperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-N-phenyl-piperidine-1,3-dicarboxamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N5O2S/c1-17-15-18(2)27-24(26-17)33-22-12-10-21(11-13-22)28-23(31)19-7-6-14-30(16-19)25(32)29-20-8-4-3-5-9-20/h3-5,8-13,15,19H,6-7,14,16H2,1-2H3,(H,28,31)(H,29,32)/t19-/m0/s1