N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3,5-dimethylphenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3,5-dimethylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-[(3,5-dimethylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(3,5-dimethylbenzoyl)nipecotamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C25H29N3O2S/c1-18-12-19(2)14-23(13-18)25(30)28-10-5-8-21(16-28)24(29)27-9-11-31-17-22-7-4-3-6-20(22)15-26/h3-4,6-7,12-14,21H,5,8-11,16-17H2,1-2H3,(H,27,29)