1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Formula: C21H28N5O2S+ MolecularWeight: 414.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2S/c1-28-19-9-7-17(8-10-19)22-21(29)24-23-20(27)11-12-25-13-15-26(16-14-25)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)(H2,22,24,29)/p+1