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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea Traditional Name: 1-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]-3-p-phenetyl-thiourea Formula: C22H30N5O2S+ MolecularWeight: 428.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2S/c1-2-29-20-10-8-18(9-11-20)23-22(30)25-24-21(28)12-13-26-14-16-27(17-15-26)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,24,28)(H2,23,25,30)/p+1