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

Systemtic Name: 1-cyclohexyl-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-cyclohexyl-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-cyclohexyl-3-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-cyclohexyl-3-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-cyclohexyl-3-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]thiourea Formula: C21H35N4S+ MolecularWeight: 375.5944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)N2CC[NH+](CC2)C)NC(=S)NC3CCCCC3

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)N2CC[NH+](CC2)C)NC(=S)NC3CCCCC3

InChI

InChI=1S/C21H34N4S/c1-17(22-21(26)23-19-11-7-4-8-12-19)20(18-9-5-3-6-10-18)25-15-13-24(2)14-16-25/h3,5-6,9-10,17,19-20H,4,7-8,11-16H2,1-2H3,(H2,22,23,26)/p+1/t17-,20-/m1/s1