1-(2,5-dimethoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2S/c1-17(24-23(30)25-20-16-19(28-3)10-11-21(20)29-4)22(18-8-6-5-7-9-18)27-14-12-26(2)13-15-27/h5-11,16-17,22H,12-15H2,1-4H3,(H2,24,25,30)/p+1/t17-,22-/m1/s1