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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-29-20-9-7-18(8-10-20)17-23-22(30)25-24-21(28)11-12-26-13-15-27(16-14-26)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,28)(H2,23,25,30)/p+1