1-(4-methylpiperazin-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[(4-nitrophenyl)methylthio]ethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[(4-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-methylpiperazino)-2-[(4-nitrobenzyl)thio]ethanone Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3S/c1-15-6-8-16(9-7-15)14(18)11-21-10-12-2-4-13(5-3-12)17(19)20/h2-5H,6-11H2,1H3