1-(4-fluorophenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C21H28FN4S+ MolecularWeight: 387.537223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)N2CC[NH+](CC2)C)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)N2CC[NH+](CC2)C)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4S/c1-16(23-21(27)24-19-10-8-18(22)9-11-19)20(17-6-4-3-5-7-17)26-14-12-25(2)13-15-26/h3-11,16,20H,12-15H2,1-2H3,(H2,23,24,27)/p+1/t16-,20-/m1/s1