6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)[C@H](CNC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c1-20-6-8-21(9-7-20)16(18-3-2-10-26-18)13-19-12-14-11-15(22(24)25)4-5-17(14)23/h2-5,10-12,16,19H,6-9,13H2,1H3/t16-/m1/s1