(3S)-N1-phenyl-N3-[2-(phenylmethylsulfanyl)phenyl]piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N1-phenyl-N3-[2-(phenylmethylsulfanyl)phenyl]piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-(2-benzylsulfanylphenyl)-N1-phenyl-piperidine-1,3-dicarboxamide CAS Name: (3S)-N1-phenyl-N3-[2-(phenylmethylthio)phenyl]piperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-(2-benzylsulfanylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-[2-(benzylthio)phenyl]-N-phenyl-piperidine-1,3-dicarboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c30-25(21-12-9-17-29(18-21)26(31)27-22-13-5-2-6-14-22)28-23-15-7-8-16-24(23)32-19-20-10-3-1-4-11-20/h1-8,10-11,13-16,21H,9,12,17-19H2,(H,27,31)(H,28,30)/t21-/m0/s1