1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 2-(2-naphthylthio)-1-(4-veratrylpiperazino)ethanone Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H28N2O3S/c1-29-23-10-7-19(15-24(23)30-2)17-26-11-13-27(14-12-26)25(28)18-31-22-9-8-20-5-3-4-6-21(20)16-22/h3-10,15-16H,11-14,17-18H2,1-2H3