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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C18H23ClFN4S2+ MolecularWeight: 413.983423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN4S2/c1-23-6-8-24(9-7-23)16(17-3-2-10-26-17)12-21-18(25)22-13-4-5-15(20)14(19)11-13/h2-5,10-11,16H,6-9,12H2,1H3,(H2,21,22,25)/p+1/t16-/m1/s1