1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-3-naphthalen-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-3-naphthalen-2-ylsulfanyl-propan-1-one Openeye Name: 1-[4-[3-(aminomethyl)phenyl]-1-piperidyl]-3-(2-naphthylsulfanyl)propan-1-one CAS Name: 1-[4-[3-(aminomethyl)phenyl]-1-piperidinyl]-3-(2-naphthalenylthio)-1-propanone IUPAC Name: 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-3-naphthalen-2-ylsulfanylpropan-1-one Traditional Name: 1-[4-[3-(aminomethyl)phenyl]piperidino]-3-(2-naphthylthio)propan-1-one Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=CC=C2)CN)C(=O)CCSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C2=CC(=CC=C2)CN)C(=O)CCSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28N2OS/c26-18-19-4-3-7-22(16-19)21-10-13-27(14-11-21)25(28)12-15-29-24-9-8-20-5-1-2-6-23(20)17-24/h1-9,16-17,21H,10-15,18,26H2