(4-fluorophenyl)-[1-[[(Z)-1-methylsulfanyl-2-nitro-ethenyl]-propyl-amino]piperidin-4-yl]methanone

Systemtic Name: (4-fluorophenyl)-[1-[[(Z)-1-methylsulfanyl-2-nitro-ethenyl]-propyl-amino]piperidin-4-yl]methanone Openeye Name: (4-fluorophenyl)-[1-[[(Z)-1-methylsulfanyl-2-nitro-vinyl]-propyl-amino]-4-piperidyl]methanone CAS Name: (4-fluorophenyl)-[1-[[(Z)-1-(methylthio)-2-nitroethenyl]-propylamino]-4-piperidinyl]methanone IUPAC Name: (4-fluorophenyl)-[1-[[(Z)-1-methylsulfanyl-2-nitroethenyl]-propylamino]piperidin-4-yl]methanone Traditional Name: (4-fluorophenyl)-[1-[[(Z)-1-(methylthio)-2-nitro-vinyl]-propyl-amino]-4-piperidyl]methanone Formula: C18H24FN3O3S MolecularWeight: 381.464863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=C[N+](=O)[O-])SC)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCN(/C(=C/[N+](=O)[O-])/SC)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FN3O3S/c1-3-10-21(17(26-2)13-22(24)25)20-11-8-15(9-12-20)18(23)14-4-6-16(19)7-5-14/h4-7,13,15H,3,8-12H2,1-2H3/b17-13-