2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O3S/c1-17(26)19-3-4-21(28-2)20(13-19)15-29-16-22(27)25-11-9-24(10-12-25)14-18-5-7-23-8-6-18/h3-8,13H,9-12,14-16H2,1-2H3