1-(4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-27-20-8-4-18(5-9-20)24-22(29)23-12-3-13-25-14-16-26(17-15-25)19-6-10-21(28-2)11-7-19/h4-11H,3,12-17H2,1-2H3,(H2,23,24,29)/p+1