N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-methoxynaphthalen-1-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-methoxynaphthalen-1-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-[(4-methoxy-1-naphthalenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(4-methoxy-1-naphthoyl)isonipecotamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C28H29N3O3S/c1-34-26-11-10-25(23-8-4-5-9-24(23)26)28(33)31-15-12-20(13-16-31)27(32)30-14-17-35-19-22-7-3-2-6-21(22)18-29/h2-11,20H,12-17,19H2,1H3,(H,30,32)