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

Systemtic Name: 1-(4-ethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N4OS/c1-3-19-5-7-20(8-6-19)25-23(29)24-13-4-14-26-15-17-27(18-16-26)21-9-11-22(28-2)12-10-21/h5-12H,3-4,13-18H2,1-2H3,(H2,24,25,29)/p+1