(3S)-N3-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-N1-phenyl-piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-N1-phenyl-piperidine-1,3-dicarboxamide Openeye Name: (3S)-N1-phenyl-N3-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-[2-[(4-methylphenyl)methylthio]ethyl]-N1-phenylpiperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-[2-[(4-methylbenzyl)thio]ethyl]-N-phenyl-piperidine-1,3-dicarboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-18-9-11-19(12-10-18)17-29-15-13-24-22(27)20-6-5-14-26(16-20)23(28)25-21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-17H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1