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

Systemtic Name: 1-(2-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]-3-(o-tolyl)thiourea Formula: C22H32N4S+2 MolecularWeight: 384.58128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(C)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N4S/c1-17-9-7-8-12-20(17)24-22(27)23-18(2)21(19-10-5-4-6-11-19)26-15-13-25(3)14-16-26/h4-12,18,21H,13-16H2,1-3H3,(H2,23,24,27)/p+2/t18-,21-/m1/s1