1-(4-methoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]thiourea Formula: C22H32N4OS+2 MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4OS/c1-17(23-22(28)24-19-9-11-20(27-3)12-10-19)21(18-7-5-4-6-8-18)26-15-13-25(2)14-16-26/h4-12,17,21H,13-16H2,1-3H3,(H2,23,24,28)/p+2/t17-,21-/m1/s1