(2,5-dimethyl-4-naphthalen-2-ylsulfanyl-piperazin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone

Systemtic Name: (2,5-dimethyl-4-naphthalen-2-ylsulfanyl-piperazin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone Openeye Name: [2,5-dimethyl-4-(2-naphthylsulfanyl)piperazin-1-yl]-[1-(4-pyridyl)-4-piperidyl]methanone CAS Name: [2,5-dimethyl-4-(2-naphthalenylthio)-1-piperazinyl]-(1-pyridin-4-yl-4-piperidinyl)methanone IUPAC Name: (2,5-dimethyl-4-naphthalen-2-ylsulfanylpiperazin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone Traditional Name: [2,5-dimethyl-4-(2-naphthylthio)piperazino]-[1-(4-pyridyl)-4-piperidyl]methanone Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1SC2=CC3=CC=CC=C3C=C2)C)C(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC1CN(C(CN1SC2=CC3=CC=CC=C3C=C2)C)C(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C27H32N4OS/c1-20-19-31(33-26-8-7-22-5-3-4-6-24(22)17-26)21(2)18-30(20)27(32)23-11-15-29(16-12-23)25-9-13-28-14-10-25/h3-10,13-14,17,20-21,23H,11-12,15-16,18-19H2,1-2H3