1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-phenylethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C21H27ClFN4S+ MolecularWeight: 421.982283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN4S/c1-2-26-10-12-27(13-11-26)20(16-6-4-3-5-7-16)15-24-21(28)25-17-8-9-19(23)18(22)14-17/h3-9,14,20H,2,10-13,15H2,1H3,(H2,24,25,28)/p+1/t20-/m1/s1