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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(1R,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(1S,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(1R,2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(1R,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(1S,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C23H33N4S+ MolecularWeight: 397.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC(C)C(C2=CC=CC=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N[C@@H](C)[C@@H](C2=CC=CC=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C23H32N4S/c1-17-9-8-12-21(18(17)2)25-23(28)24-19(3)22(20-10-6-5-7-11-20)27-15-13-26(4)14-16-27/h5-12,19,22H,13-16H2,1-4H3,(H2,24,25,28)/p+1/t19-,22-/m0/s1