2-[3-(naphthalen-1-ylmethylsulfanyl)indol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-(naphthalen-1-ylmethylsulfanyl)indol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(1-naphthylmethylsulfanyl)indol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-(1-naphthalenylmethylthio)-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(naphthalen-1-ylmethylsulfanyl)indol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-(1-naphthylmethylthio)indol-1-yl]-1-piperidino-ethanone Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H26N2OS/c29-26(27-15-6-1-7-16-27)18-28-17-25(23-13-4-5-14-24(23)28)30-19-21-11-8-10-20-9-2-3-12-22(20)21/h2-5,8-14,17H,1,6-7,15-16,18-19H2