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

Systemtic Name: 1-(3-bromophenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C21H28BrN4S+ MolecularWeight: 448.44282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4S/c1-16(23-21(27)24-19-10-6-9-18(22)15-19)20(17-7-4-3-5-8-17)26-13-11-25(2)12-14-26/h3-10,15-16,20H,11-14H2,1-2H3,(H2,23,24,27)/p+1/t16-,20-/m1/s1