1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-(3-fluorophenyl)thiourea

Systemtic Name: 1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-(3-fluorophenyl)thiourea Openeye Name: 1-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-(3-fluorophenyl)thiourea CAS Name: 1-[(1S,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-3-(3-fluorophenyl)thiourea IUPAC Name: 1-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-(3-fluorophenyl)thiourea Traditional Name: 1-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-(3-fluorophenyl)thiourea Formula: C20H28FN4S2+ MolecularWeight: 407.591523

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NC(=S)NC3=CC(=CC=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=S)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN4S2/c1-3-24-9-11-25(12-10-24)19(18-8-5-13-27-18)15(2)22-20(26)23-17-7-4-6-16(21)14-17/h4-8,13-15,19H,3,9-12H2,1-2H3,(H2,22,23,26)/p+1/t15-,19-/m0/s1