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

Systemtic Name: 1-(2-methylphenyl)-3-[(1R,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-[(1S,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[(1R,2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(1R,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-[(1S,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-3-(o-tolyl)thiourea Formula: C22H31N4S+ MolecularWeight: 383.57334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(C)C(C2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N[C@@H](C)[C@@H](C2=CC=CC=C2)N3CC[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+1/t18-,21-/m0/s1