1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C18H24N5O2S2+ MolecularWeight: 406.54546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H23N5O2S2/c1-21-8-10-22(11-9-21)16(17-3-2-12-27-17)13-19-18(26)20-14-4-6-15(7-5-14)23(24)25/h2-7,12,16H,8-11,13H2,1H3,(H2,19,20,26)/p+1/t16-/m1/s1